Carboxylic acids and derivatives
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1-Formyl-4-methylpiperazine, 98%
CAS: 7556-55-0 Molecular Formula: C6H12N2O Molecular Weight (g/mol): 128.18 MDL Number: MFCD00085930 InChI Key: JQTMGOLZSBTZMS-UHFFFAOYSA-N Synonym: 1-formyl-4-methylpiperazine,n-methyl-n'-formylpiperazine,4-methylpiperazin-1-yl methanone,4-methyl-1-piperazinyl-methanone,4-methyl-piperazin-1-yl-methanone,ods PubChem CID: 3269221 ChEBI: CHEBI:44477 IUPAC Name: 4-methylpiperazine-1-carbaldehyde SMILES: CN1CCN(CC1)C=O
| PubChem CID | 3269221 |
|---|---|
| CAS | 7556-55-0 |
| Molecular Weight (g/mol) | 128.18 |
| ChEBI | CHEBI:44477 |
| MDL Number | MFCD00085930 |
| SMILES | CN1CCN(CC1)C=O |
| Synonym | 1-formyl-4-methylpiperazine,n-methyl-n'-formylpiperazine,4-methylpiperazin-1-yl methanone,4-methyl-1-piperazinyl-methanone,4-methyl-piperazin-1-yl-methanone,ods |
| IUPAC Name | 4-methylpiperazine-1-carbaldehyde |
| InChI Key | JQTMGOLZSBTZMS-UHFFFAOYSA-N |
| Molecular Formula | C6H12N2O |
3,5,7-Trimethyladamantane-1-carboxylic acid, 97%, Thermo Scientific™
CAS: 15291-66-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00187581 InChI Key: DHIIUPVOLLOORM-UHFFFAOYSA-N Synonym: 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl PubChem CID: 2802268 IUPAC Name: 3,5,7-trimethyladamantane-1-carboxylic acid SMILES: CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O
| PubChem CID | 2802268 |
|---|---|
| CAS | 15291-66-4 |
| Molecular Weight (g/mol) | 222.33 |
| MDL Number | MFCD00187581 |
| SMILES | CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(O)=O |
| Synonym | 3,5,8-trimethyladamantanecarboxylic acid,maybridge4_000576,1,3,5-trimethyladamantane-7-carboxylic acid,3,5,7-trimethyl adamantane-1-carboxylic acid,1s,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,3r,5s,7s-3,5,7-trimethyladamantane-1-carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5,7-trimethyl,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, 3,5,7-trimethyl |
| IUPAC Name | 3,5,7-trimethyladamantane-1-carboxylic acid |
| InChI Key | DHIIUPVOLLOORM-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
alpha-D-Glucose pentaacetate, 99%
CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 2723636 |
|---|---|
| CAS | 604-68-2 |
| Molecular Weight (g/mol) | 390.34 |
| MDL Number | MFCD00064071,MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
Sodium Lactate Solution, FCC, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |
Nickel(II) acetate tetrahydrate, 99%, extra pure
CAS: 6018-89-9 Molecular Formula: C4H14NiO8 Molecular Weight (g/mol): 248.84 MDL Number: MFCD00066973 InChI Key: OINIXPNQKAZCRL-UHFFFAOYSA-L Synonym: nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate PubChem CID: 62601 IUPAC Name: nickel(2+);diacetate;tetrahydrate SMILES: O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O
| PubChem CID | 62601 |
|---|---|
| CAS | 6018-89-9 |
| Molecular Weight (g/mol) | 248.84 |
| MDL Number | MFCD00066973 |
| SMILES | O.O.O.O.[Ni++].CC([O-])=O.CC([O-])=O |
| Synonym | nickel ii acetate tetrahydrate,nickel acetate tetrahydrate,nickel diacetate tetrahydrate,diacetatonickel tetrahydrate,nickelous acetate tetrahydrate,unii-6soa8l0560,acetic acid, nickel +2 salt, tetrahydrate,nickel 2+ diacetate tetrahydrate,nickel acetate tetrahydrate nickel and nickel compounds,acetic acid, nickel 2+ salt, tetrahydrate |
| IUPAC Name | nickel(2+);diacetate;tetrahydrate |
| InChI Key | OINIXPNQKAZCRL-UHFFFAOYSA-L |
| Molecular Formula | C4H14NiO8 |
Methyl 1-methylpyrrole-2-carboxylate, 99%
CAS: 37619-24-2 Molecular Formula: C7H9NO2 Molecular Weight (g/mol): 139.154 MDL Number: MFCD00052747 InChI Key: APHVGKYWHWFAQV-UHFFFAOYSA-N Synonym: methyl 1-methyl-1h-pyrrole-2-carboxylate,methyl1-methyl-1h-pyrrole-2-carboxylate,1-methyl-1h-pyrrole-2-carboxylic acid methyl ester,methyl 1-methyl-2-pyrrolecarboxylate,1-methylpyrrole-2-carboxylic acid methyl ester,pubchem12438,acmc-209iue,methylmethylpyrrolecarboxylate,2-methoxycarbonyl-1-methylpyrrole,methyl 1-methyl-pyrrole-2-carboxylate PubChem CID: 142178 IUPAC Name: methyl 1-methylpyrrole-2-carboxylate SMILES: CN1C=CC=C1C(=O)OC
| PubChem CID | 142178 |
|---|---|
| CAS | 37619-24-2 |
| Molecular Weight (g/mol) | 139.154 |
| MDL Number | MFCD00052747 |
| SMILES | CN1C=CC=C1C(=O)OC |
| Synonym | methyl 1-methyl-1h-pyrrole-2-carboxylate,methyl1-methyl-1h-pyrrole-2-carboxylate,1-methyl-1h-pyrrole-2-carboxylic acid methyl ester,methyl 1-methyl-2-pyrrolecarboxylate,1-methylpyrrole-2-carboxylic acid methyl ester,pubchem12438,acmc-209iue,methylmethylpyrrolecarboxylate,2-methoxycarbonyl-1-methylpyrrole,methyl 1-methyl-pyrrole-2-carboxylate |
| IUPAC Name | methyl 1-methylpyrrole-2-carboxylate |
| InChI Key | APHVGKYWHWFAQV-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2 |
Oxamide, 98%
CAS: 471-46-5 Molecular Formula: C2H4N2O2 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00008007 InChI Key: YIKSCQDJHCMVMK-UHFFFAOYSA-N Synonym: ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e PubChem CID: 10113 ChEBI: CHEBI:48248 IUPAC Name: oxamide SMILES: C(=O)(C(=O)N)N
| PubChem CID | 10113 |
|---|---|
| CAS | 471-46-5 |
| Molecular Weight (g/mol) | 88.06 |
| ChEBI | CHEBI:48248 |
| MDL Number | MFCD00008007 |
| SMILES | C(=O)(C(=O)N)N |
| Synonym | ethanediamide,oxalamide,oxamimidic acid,oxalic acid diamide,diaminoglyoxal,oxamid,amid kyseliny stavelove,formimidic acid, 1-carbamoyl,oxamid czech,unii-sbe4m0223e |
| IUPAC Name | oxamide |
| InChI Key | YIKSCQDJHCMVMK-UHFFFAOYSA-N |
| Molecular Formula | C2H4N2O2 |
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 |
Ethylenediaminetetraacetic Acid Tetrasodium Salt, Solution, Spectrum™ Chemical
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CAS: 64-02-8 Molecular Formula: C10H12N2Na4O8 Molecular Weight (g/mol): 380.17 InChI Key: UEUXEKPTXMALOB-UHFFFAOYSA-J IUPAC Name: tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| CAS | 64-02-8 |
|---|---|
| Molecular Weight (g/mol) | 380.17 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| IUPAC Name | tetrasodium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxylatomethyl)amino)acetate |
| InChI Key | UEUXEKPTXMALOB-UHFFFAOYSA-J |
| Molecular Formula | C10H12N2Na4O8 |
m-Tolylacetic acid, 99%
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1
| PubChem CID | 12121 |
|---|---|
| CAS | 621-36-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004340 |
| SMILES | CC1=CC=CC(CC(O)=O)=C1 |
| Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
5-Hexenyl acetate, 97%
CAS: 5048-26-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00060856 InChI Key: MPLWNENKBSBMFN-UHFFFAOYSA-N Synonym: 5-hexenyl acetate,hex-5-en-1-yl acetate,acetic acid 5-hexenyl ester,5-hexen-1-ol, acetate,5-hexene-1-ol, acetate,acetic acid 5-hexen-1-yl ester,6-acetoxy-1-hexene,6-acetoxyhex-1-ene,5-hexenyl acetate #,acmc-1aw0j PubChem CID: 537536 IUPAC Name: hex-5-enyl acetate SMILES: CC(=O)OCCCCC=C
| PubChem CID | 537536 |
|---|---|
| CAS | 5048-26-0 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00060856 |
| SMILES | CC(=O)OCCCCC=C |
| Synonym | 5-hexenyl acetate,hex-5-en-1-yl acetate,acetic acid 5-hexenyl ester,5-hexen-1-ol, acetate,5-hexene-1-ol, acetate,acetic acid 5-hexen-1-yl ester,6-acetoxy-1-hexene,6-acetoxyhex-1-ene,5-hexenyl acetate #,acmc-1aw0j |
| IUPAC Name | hex-5-enyl acetate |
| InChI Key | MPLWNENKBSBMFN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methyl 4-cyanobenzoate, 99%
CAS: 1129-35-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00001823 InChI Key: KKZMIDYKRKGJHG-UHFFFAOYSA-N Synonym: 4-cyanobenzoic acid methyl ester,benzoic acid, 4-cyano-, methyl ester,methyl p-cyanobenzoate,unii-f8fms7o8xg,f8fms7o8xg,benzoic acid, p-cyano-, methyl ester,4-cyano-benzoic acid methyl ester,methyl4-cyanobenzoate,methyl-4-cyanobenzoate,acmc-1bs5i PubChem CID: 70791 IUPAC Name: methyl 4-cyanobenzoate SMILES: COC(=O)C1=CC=C(C=C1)C#N
| PubChem CID | 70791 |
|---|---|
| CAS | 1129-35-7 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00001823 |
| SMILES | COC(=O)C1=CC=C(C=C1)C#N |
| Synonym | 4-cyanobenzoic acid methyl ester,benzoic acid, 4-cyano-, methyl ester,methyl p-cyanobenzoate,unii-f8fms7o8xg,f8fms7o8xg,benzoic acid, p-cyano-, methyl ester,4-cyano-benzoic acid methyl ester,methyl4-cyanobenzoate,methyl-4-cyanobenzoate,acmc-1bs5i |
| IUPAC Name | methyl 4-cyanobenzoate |
| InChI Key | KKZMIDYKRKGJHG-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
L-Ascorbic acid, ≥99%, MP Biomedicals™
CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 131674100 |
|---|---|
| CAS | 134-03-2 |
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Diethylenetriamine-N,N,N',N″,N″-pentaacetic acid, 90%, MP Biomedicals™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 3053 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| ChEBI | CHEBI:35739 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
| IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| Molecular Formula | C14H23N3O10 |
EDTA, Dipotassium Salt Dihydrate, MP Biomedicals
CAS: 2001-94-7 Molecular Formula: C10H16K2N2O8 Molecular Weight (g/mol): 370.441 InChI Key: MGDKBCNOUDORNI-UHFFFAOYSA-N Synonym: dipotassium dihydrogen ethylenediaminetetraacetate PubChem CID: 87063472 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K]
| PubChem CID | 87063472 |
|---|---|
| CAS | 2001-94-7 |
| Molecular Weight (g/mol) | 370.441 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K] |
| Synonym | dipotassium dihydrogen ethylenediaminetetraacetate |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium |
| InChI Key | MGDKBCNOUDORNI-UHFFFAOYSA-N |
| Molecular Formula | C10H16K2N2O8 |