Organic acids and derivatives
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Dodecylbenzene Sodium Sulfonate, 65% in water, MP Biomedicals
CAS: 2211-98-5 Molecular Formula: C18H29NaO3S Molecular Weight (g/mol): 348.477 InChI Key: JHJUUEHSAZXEEO-UHFFFAOYSA-M Synonym: sodium 4-dodecylbenzenesulfonate,sodium p-dodecylbenzenesulfonate,conoco c-50,unii-hb2d2zei04,hb2d2zei04,benzenesulfonic acid, 4-dodecyl-, sodium salt 1:1,dodecene-1 las,benzenesulfonic acid, 4-dodecyl-, sodium salt,sodium 4-dodecylbenzenesulphonate,4-dodecylbenzenesulfonic acid sodium PubChem CID: 4289524 IUPAC Name: sodium;4-dodecylbenzenesulfonate SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 4289524 |
|---|---|
| CAS | 2211-98-5 |
| Molecular Weight (g/mol) | 348.477 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium 4-dodecylbenzenesulfonate,sodium p-dodecylbenzenesulfonate,conoco c-50,unii-hb2d2zei04,hb2d2zei04,benzenesulfonic acid, 4-dodecyl-, sodium salt 1:1,dodecene-1 las,benzenesulfonic acid, 4-dodecyl-, sodium salt,sodium 4-dodecylbenzenesulphonate,4-dodecylbenzenesulfonic acid sodium |
| IUPAC Name | sodium;4-dodecylbenzenesulfonate |
| InChI Key | JHJUUEHSAZXEEO-UHFFFAOYSA-M |
| Molecular Formula | C18H29NaO3S |
Pyridine-2-boronic acid, 95%
CAS: 197958-29-5 Molecular Formula: C5H6BNO2 Molecular Weight (g/mol): 122.92 MDL Number: MFCD00151844 InChI Key: UMLDUMMLRZFROX-UHFFFAOYSA-N Synonym: 2-pyridineboronic acid,pyridine-2-boronic acid,2-pyridinylboronic acid,2-pyridylboronic acid,pyridin-2-boronic acid,pyridylboronic acid,boronic acid, 2-pyridinyl,2-pyridineboronicacid,2-pyridinyl-boronic acid,pyridinylboronic acid PubChem CID: 2762745 IUPAC Name: pyridin-2-ylboronic acid SMILES: OB(O)C1=CC=CC=N1
| PubChem CID | 2762745 |
|---|---|
| CAS | 197958-29-5 |
| Molecular Weight (g/mol) | 122.92 |
| MDL Number | MFCD00151844 |
| SMILES | OB(O)C1=CC=CC=N1 |
| Synonym | 2-pyridineboronic acid,pyridine-2-boronic acid,2-pyridinylboronic acid,2-pyridylboronic acid,pyridin-2-boronic acid,pyridylboronic acid,boronic acid, 2-pyridinyl,2-pyridineboronicacid,2-pyridinyl-boronic acid,pyridinylboronic acid |
| IUPAC Name | pyridin-2-ylboronic acid |
| InChI Key | UMLDUMMLRZFROX-UHFFFAOYSA-N |
| Molecular Formula | C5H6BNO2 |
Ethylene carbonate, 99%
CAS: 96-49-1 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.062 MDL Number: MFCD00005382 InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N Synonym: ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec PubChem CID: 7303 IUPAC Name: 1,3-dioxolan-2-one SMILES: C1COC(=O)O1
| PubChem CID | 7303 |
|---|---|
| CAS | 96-49-1 |
| Molecular Weight (g/mol) | 88.062 |
| MDL Number | MFCD00005382 |
| SMILES | C1COC(=O)O1 |
| Synonym | ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec |
| IUPAC Name | 1,3-dioxolan-2-one |
| InChI Key | KMTRUDSVKNLOMY-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
Methyl formate, 97%, may cont. up to ca 3% methanol
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Casein, tech., Thermo Scientific Chemicals
CAS: 9000-71-9 Molecular Formula: C81H125N22O39P Molecular Weight (g/mol): 2061.98 MDL Number: MFCD00081481 InChI Key: BECPQYXYKAMYBN-UHFFFAOYNA-N Synonym: casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide PubChem CID: 73995022 IUPAC Name: 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid SMILES: CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O
| PubChem CID | 73995022 |
|---|---|
| CAS | 9000-71-9 |
| Molecular Weight (g/mol) | 2061.98 |
| MDL Number | MFCD00081481 |
| SMILES | CC(C)CC(N=C(O)C(CCC(O)=O)N=C(O)C(CC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=N)N=C(O)C(CCC(O)=O)N=C(O)C(CCC(O)=O)N=C(O)C(COP(O)(O)=O)N=C(O)C(CCC(O)=N)N=C(O)C(N)CC1=CC=CC=C1)C(C)O)C(O)=NC(CCC(O)=N)C(O)=NC(CC(O)=O)C(O)=NC(CCCCN)C(O)=O |
| Synonym | casein,caseinogen,casein, tech.,bovine beta-casein monophosphopeptide |
| IUPAC Name | 6-amino-2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-{[2-({2-[(2-amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1-hydroxy-3-(phosphonooxy)propylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-4-carboxy-1-hydroxybutylidene}amino)-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-1,3-dihydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-4-carboxy-1-hydroxybutylidene]amino}-1-hydroxy-4-methylpentylidene)amino]-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene}amino)-3-carboxy-1-hydroxypropylidene]amino}hexanoic acid |
| InChI Key | BECPQYXYKAMYBN-UHFFFAOYNA-N |
| Molecular Formula | C81H125N22O39P |
3-Cyclopentylpropionic acid, 98%
CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1
| PubChem CID | 8818 |
|---|---|
| CAS | 140-77-2 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:50899 |
| MDL Number | MFCD00001392 |
| SMILES | OC(=O)CCC1CCCC1 |
| Synonym | 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate |
| IUPAC Name | 3-cyclopentylpropanoic acid |
| InChI Key | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Isopropyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for applications in quality control. Provides pharma laboratories and manufacturers with a convenient, cost-effective alternative to the preparation of in-house working standards.
| Boiling Point | 85°C to 91°C (literature) |
|---|---|
| Linear Formula | CH3COOCH(CH3)2 |
| Grade | Certified Reference Material |
| Vapor Pressure | 47 mmHg (20°C) |
| Vapor Density | 3.5 (vs air) |
| CAS | 108-21-4 |
| MDL Number | MFCD00008877 |
| Flash Point | 4°C (Not applicable) |
| Health Hazard 1 | H225 - H319 - H336 |
| Refractive Index | n20/D 1.377 (literature) |
| Synonym | Isopropyl Acetate; Acetic Acid Isopropyl Ester |
| Molecular Formula | C5H10O2 |
| Formula Weight | 102.13 |
| Melting Point | -73°C (literature) |
Dodecane-1-sulfonic acid sodium salt, LiChropur™ EMD-Millipore
CAS: 2386-53-0 Molecular Formula: C12H25NaO3S Molecular Weight (g/mol): 272.379 InChI Key: DAJSVUQLFFJUSX-UHFFFAOYSA-M Synonym: sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 PubChem CID: 23665726 IUPAC Name: sodium;dodecane-1-sulfonate SMILES: CCCCCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23665726 |
|---|---|
| CAS | 2386-53-0 |
| Molecular Weight (g/mol) | 272.379 |
| SMILES | CCCCCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium 1-dodecanesulfonate,sodium dodecane-1-sulfonate,1-dodecanesulfonic acid sodium salt,sodium laurylsulfonate,1-dodecanesulfonic acid, sodium salt,unii-4gy1kjw8si,sodium dodecyl sulfonate,4gy1kjw8si,laurylsulfonic acid sodium salt,1-dodecanesulfonic acid, sodium salt 1:1 |
| IUPAC Name | sodium;dodecane-1-sulfonate |
| InChI Key | DAJSVUQLFFJUSX-UHFFFAOYSA-M |
| Molecular Formula | C12H25NaO3S |
Sodium citrate, 99.8%, For ACS analysis, MP Biomedicals™
CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K Synonym: trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate PubChem CID: 71474 ChEBI: CHEBI:32142 IUPAC Name: trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+]
| PubChem CID | 71474 |
|---|---|
| CAS | 1545801 |
| Molecular Weight (g/mol) | 294.1 |
| ChEBI | CHEBI:32142 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Na+].[Na+].[Na+] |
| Synonym | trisodium citrate dihydrate,sodium citrate dihydrate,sodium citrate tribasic dihydrate,natriumcitrat-dihydrat,sodium citrate hydrate,1,2,3-propanetricarboxylic acid, 2-hydroxy-, trisodium salt, dihydrate,citronensaeure-tri-na-salz-dihydrat,citric acid trisodium salt dihydrate,citric acid, trisodium salt dihydrate,trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| IUPAC Name | trisodium;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
4-Hydroxy-6-methyl-2-pyrone, 98%
CAS: 675-10-5 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00006641,MFCD18820248 InChI Key: OOKCZXGEYPSNIM-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 PubChem CID: 54675757 ChEBI: CHEBI:16458 IUPAC Name: 4-hydroxy-6-methylpyran-2-one SMILES: CC1=CC(=O)C=C(O)O1
| PubChem CID | 54675757 |
|---|---|
| CAS | 675-10-5 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16458 |
| MDL Number | MFCD00006641,MFCD18820248 |
| SMILES | CC1=CC(=O)C=C(O)O1 |
| Synonym | 4-hydroxy-6-methyl-2-pyrone,2-hydroxy-6-methyl-4h-pyran-4-one,4-hydroxy-6-methyl-2h-pyran-2-one,triacetic acid lactone,triacetate lactone,2h-pyran-2-one, 4-hydroxy-6-methyl,6-methyl-4-hydroxypyron-2,unii-s1s883s4ee,6-methyl-4-hydroxy-2-pyrone,ccris 3600 |
| IUPAC Name | 4-hydroxy-6-methylpyran-2-one |
| InChI Key | OOKCZXGEYPSNIM-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
(S)-(-)-2-Chloropropionic acid, 98%
CAS: 29617-66-1 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064205 InChI Key: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonym: s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid PubChem CID: 107915 ChEBI: CHEBI:73956 IUPAC Name: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O
| PubChem CID | 107915 |
|---|---|
| CAS | 29617-66-1 |
| Molecular Weight (g/mol) | 107.51 |
| ChEBI | CHEBI:73956 |
| MDL Number | MFCD00064205 |
| SMILES | C[C@H](Cl)C([O-])=O |
| Synonym | s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid |
| IUPAC Name | (2S)-2-chloropropanoic acid |
| InChI Key | GAWAYYRQGQZKCR-REOHCLBHSA-M |
| Molecular Formula | C3H4ClO2 |
3,4,6-Tri-O-acetyl-D-glucal, 98%, Thermo Scientific Chemicals
CAS: 2873-29-2 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.253 MDL Number: MFCD00063253 InChI Key: LLPWGHLVUPBSLP-UTUOFQBUSA-N Synonym: tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal PubChem CID: 688303 IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C
| PubChem CID | 688303 |
|---|---|
| CAS | 2873-29-2 |
| Molecular Weight (g/mol) | 272.253 |
| MDL Number | MFCD00063253 |
| SMILES | CC(=O)OCC1C(C(C=CO1)OC(=O)C)OC(=O)C |
| Synonym | tri-o-acetyl-d-glucal,3,4,6-tri-o-acetyl-d-glucal,2r,3s,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-glucal triacetate,3,4,6-tri-o-acetyl-1,5-anhydro-2-deoxy-d-arabino-hex-1-enitol,arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, triacetate,tri-o-acetylglucal,triacetyl-d-glucal,2r,3s,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,tri-o-acetyl-glucal |
| IUPAC Name | [(2R,3S,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UTUOFQBUSA-N |
| Molecular Formula | C12H16O7 |
Spectrum Chemical Manufacturing Corporation Propylene Carbonate, 99%, Spectrum™ Chemical
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CAS: 108-32-7
| CAS | 108-32-7 |
|---|
2'-Deoxyadenosine-5'-monophosphate, 98%
CAS: 653-63-4 Molecular Formula: C10H14N5O6P Molecular Weight (g/mol): 331.23 MDL Number: MFCD00005753 InChI Key: KHWCHTKSEGGWEX-RRKCRQDMSA-N Synonym: damp,2'-deoxyadenosine-5'-monophosphate,2'-deoxyadenosine 5'-monophosphate,2'-deoxyadenylic acid,deoxyadenylic acid,deoxy-amp,2'-deoxy-amp,2'-deoxyadenosine 5'-phosphate,2'-damp,deoxyadenosine monophosphate PubChem CID: 12599 ChEBI: CHEBI:17713 IUPAC Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(O)=O)O3)C2=NC=N1
| PubChem CID | 12599 |
|---|---|
| CAS | 653-63-4 |
| Molecular Weight (g/mol) | 331.23 |
| ChEBI | CHEBI:17713 |
| MDL Number | MFCD00005753 |
| SMILES | NC1=C2N=CN([C@H]3C[C@H](O)[C@@H](COP(O)(O)=O)O3)C2=NC=N1 |
| Synonym | damp,2'-deoxyadenosine-5'-monophosphate,2'-deoxyadenosine 5'-monophosphate,2'-deoxyadenylic acid,deoxyadenylic acid,deoxy-amp,2'-deoxy-amp,2'-deoxyadenosine 5'-phosphate,2'-damp,deoxyadenosine monophosphate |
| IUPAC Name | [(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | KHWCHTKSEGGWEX-RRKCRQDMSA-N |
| Molecular Formula | C10H14N5O6P |
Ethyl phenylcyanoacetate, 98%
CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1
| PubChem CID | 95298 |
|---|---|
| CAS | 4553-07-5 |
| Molecular Weight (g/mol) | 189.21 |
| ChEBI | CHEBI:51926 |
| MDL Number | MFCD00001866 |
| SMILES | CCOC(=O)C(C#N)C1=CC=CC=C1 |
| Synonym | ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester |
| IUPAC Name | ethyl 2-cyano-2-phenylacetate |
| InChI Key | SXIRJEDGTAKGKU-UHFFFAOYNA-N |
| Molecular Formula | C11H11NO2 |