Organic acids and derivatives
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trans-1-Octenylboronic acid pinacol ester, 97%, Thermo Scientific Chemicals
CAS: 83947-55-1 Molecular Formula: C14H27BO2 Molecular Weight (g/mol): 238.178 MDL Number: MFCD03453667 InChI Key: KQTOSGTXAFJZSJ-VAWYXSNFSA-N Synonym: trans-4,4,5,5-tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane,1-octenylboronic acid pinacol ester,1-octen-1-ylboronic acid, pinacol ester,trans-1-octenylboronic acid pinacol ester,trans-4,4,5,5-tetramethyl-2-1-octenyl-1,3,2-dioxaborolane,e-1-octenylboronic acid pinacol ester,trans-1-octen-1-ylboronic acid pinacol ester,trans-1-oct-1-en-1-yl boronic acid, pinacol ester,trans-4,4,5,5-tetramethyl-2-oct-1-en-1-yl-1,3,2-dioxaborolane PubChem CID: 5706555 IUPAC Name: 4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C=CCCCCCC
| PubChem CID | 5706555 |
|---|---|
| CAS | 83947-55-1 |
| Molecular Weight (g/mol) | 238.178 |
| MDL Number | MFCD03453667 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C=CCCCCCC |
| Synonym | trans-4,4,5,5-tetramethyl-2-oct-1-enyl-1,3,2-dioxaborolane,1-octenylboronic acid pinacol ester,1-octen-1-ylboronic acid, pinacol ester,trans-1-octenylboronic acid pinacol ester,trans-4,4,5,5-tetramethyl-2-1-octenyl-1,3,2-dioxaborolane,e-1-octenylboronic acid pinacol ester,trans-1-octen-1-ylboronic acid pinacol ester,trans-1-oct-1-en-1-yl boronic acid, pinacol ester,trans-4,4,5,5-tetramethyl-2-oct-1-en-1-yl-1,3,2-dioxaborolane |
| IUPAC Name | 4,4,5,5-tetramethyl-2-[(E)-oct-1-enyl]-1,3,2-dioxaborolane |
| InChI Key | KQTOSGTXAFJZSJ-VAWYXSNFSA-N |
| Molecular Formula | C14H27BO2 |
6-Chloronicotinamide, 98%
CAS: 6271-78-9 Molecular Formula: C6H5ClN2O Molecular Weight (g/mol): 156.57 MDL Number: MFCD00006242 InChI Key: ZIJAZUBWHAZHPL-UHFFFAOYSA-N Synonym: 6-chloronicotinamide,3-pyridinecarboxamide, 6-chloro,nicotinamide, 6-chloro,6-chloro-3-pyridinecarboxamide,6-chloro-nicotinamide,acmc-1b4gd,6-chloronicotinic acid amide,3-carbamoyl-6-chloropyridine,ksc492o5t PubChem CID: 80456 IUPAC Name: 6-chloropyridine-3-carboxamide SMILES: NC(=O)C1=CC=C(Cl)N=C1
| PubChem CID | 80456 |
|---|---|
| CAS | 6271-78-9 |
| Molecular Weight (g/mol) | 156.57 |
| MDL Number | MFCD00006242 |
| SMILES | NC(=O)C1=CC=C(Cl)N=C1 |
| Synonym | 6-chloronicotinamide,3-pyridinecarboxamide, 6-chloro,nicotinamide, 6-chloro,6-chloro-3-pyridinecarboxamide,6-chloro-nicotinamide,acmc-1b4gd,6-chloronicotinic acid amide,3-carbamoyl-6-chloropyridine,ksc492o5t |
| IUPAC Name | 6-chloropyridine-3-carboxamide |
| InChI Key | ZIJAZUBWHAZHPL-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClN2O |
Ethyl 1H-pyrazole-4-carboxylate, 98%
CAS: 37622-90-5 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00010844 InChI Key: KACZQOKEFKFNDB-UHFFFAOYSA-N PubChem CID: 142179 IUPAC Name: ethyl 1H-pyrazole-4-carboxylate SMILES: CCOC(=O)C1=CNN=C1
| PubChem CID | 142179 |
|---|---|
| CAS | 37622-90-5 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00010844 |
| SMILES | CCOC(=O)C1=CNN=C1 |
| IUPAC Name | ethyl 1H-pyrazole-4-carboxylate |
| InChI Key | KACZQOKEFKFNDB-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Methyl dimethoxyacetate, 96%
CAS: 89-91-8 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.131 MDL Number: MFCD00008484 InChI Key: NZTCVGHPDWAALP-UHFFFAOYSA-N Synonym: methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate PubChem CID: 66647 IUPAC Name: methyl 2,2-dimethoxyacetate SMILES: COC(C(=O)OC)OC
| PubChem CID | 66647 |
|---|---|
| CAS | 89-91-8 |
| Molecular Weight (g/mol) | 134.131 |
| MDL Number | MFCD00008484 |
| SMILES | COC(C(=O)OC)OC |
| Synonym | methyl dimethoxyacetate,acetic acid, dimethoxy-, methyl ester,dimethoxyacetic acid methyl ester,glyoxylic acid methyl ester dimethyl acetal,acetic acid, 2,2-dimethoxy-, methyl ester,glyoxylic acid, methyl ester, 2-dimethyl acetal,zlchem 519,acmc-209r3k,ksc490c4f,methyl 2,2-dimethoxyethanoate |
| IUPAC Name | methyl 2,2-dimethoxyacetate |
| InChI Key | NZTCVGHPDWAALP-UHFFFAOYSA-N |
| Molecular Formula | C5H10O4 |
Trioctyl phosphate
CAS: 78-42-2 Molecular Formula: C24H51O4P Molecular Weight (g/mol): 434.64 MDL Number: MFCD00009491 InChI Key: GTVWRXDRKAHEAD-UHFFFAOYNA-N Synonym: tris 2-ethylhexyl phosphate,disflamoll tof,flexol tof,phosphoric acid, tris 2-ethylhexyl ester,kronitex tof,flexol plasticizer tof,2-ethyl-1-hexanol phosphate,tris ethylhexyl phosphate,tri 2-ethylhexyl phosphate PubChem CID: 6537 IUPAC Name: tris(2-ethylhexyl) phosphate SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
| PubChem CID | 6537 |
|---|---|
| CAS | 78-42-2 |
| Molecular Weight (g/mol) | 434.64 |
| MDL Number | MFCD00009491 |
| SMILES | CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC |
| Synonym | tris 2-ethylhexyl phosphate,disflamoll tof,flexol tof,phosphoric acid, tris 2-ethylhexyl ester,kronitex tof,flexol plasticizer tof,2-ethyl-1-hexanol phosphate,tris ethylhexyl phosphate,tri 2-ethylhexyl phosphate |
| IUPAC Name | tris(2-ethylhexyl) phosphate |
| InChI Key | GTVWRXDRKAHEAD-UHFFFAOYNA-N |
| Molecular Formula | C24H51O4P |
Vinylene carbonate, 97+%, stab. with BHT
CAS: 872-36-6 Molecular Formula: C3H2O3 Molecular Weight (g/mol): 86.05 MDL Number: MFCD00005380 InChI Key: VAYTZRYEBVHVLE-UHFFFAOYSA-N Synonym: vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 PubChem CID: 13385 IUPAC Name: 1,3-dioxol-2-one SMILES: O=C1OC=CO1
| PubChem CID | 13385 |
|---|---|
| CAS | 872-36-6 |
| Molecular Weight (g/mol) | 86.05 |
| MDL Number | MFCD00005380 |
| SMILES | O=C1OC=CO1 |
| Synonym | vinylene carbonate,vinyl carbonate,carbonic acid, cyclic vinylene ester,wln: t5ovoj,vinylenecarbonate,vinyleny carbonate,carbonic acid vinylene,1,3-dioxo-2-one,vinylene carbonate vc,acmc-209qj3 |
| IUPAC Name | 1,3-dioxol-2-one |
| InChI Key | VAYTZRYEBVHVLE-UHFFFAOYSA-N |
| Molecular Formula | C3H2O3 |
4-Benzyloxy-2-methylbenzeneboronic acid, 98%
CAS: 847560-49-0 Molecular Formula: C14H15BO3 Molecular Weight (g/mol): 242.081 MDL Number: MFCD03788404 InChI Key: VCDFDGOVNBMYRW-UHFFFAOYSA-N Synonym: 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid PubChem CID: 2773245 IUPAC Name: (2-methyl-4-phenylmethoxyphenyl)boronic acid SMILES: B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O
| PubChem CID | 2773245 |
|---|---|
| CAS | 847560-49-0 |
| Molecular Weight (g/mol) | 242.081 |
| MDL Number | MFCD03788404 |
| SMILES | B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)C)(O)O |
| Synonym | 4-benzyloxy-2-methylphenylboronic acid,4-benzyloxy-2-methylphenyl boronic acid,4-benzyloxy-2-methylbenzeneboronic acid,5-benzyloxytoluene-2-boronic acid,acmc-209pwd,2-methyl-4-benzyloxyphenylboronic acid,4-benzyloxy-2-methylphenyl boronicacid |
| IUPAC Name | (2-methyl-4-phenylmethoxyphenyl)boronic acid |
| InChI Key | VCDFDGOVNBMYRW-UHFFFAOYSA-N |
| Molecular Formula | C14H15BO3 |
Guanosine-5'-monophosphate, Free acid, ≥98%, MP Biomedicals™
CAS: 85-32-5 Molecular Formula: C10H14N5O8P Molecular Weight (g/mol): 363.223 InChI Key: RQFCJASXJCIDSX-UUOKFMHZSA-N Synonym: 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate PubChem CID: 6804 ChEBI: CHEBI:17345 IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N
| PubChem CID | 6804 |
|---|---|
| CAS | 85-32-5 |
| Molecular Weight (g/mol) | 363.223 |
| ChEBI | CHEBI:17345 |
| SMILES | C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=O)N |
| Synonym | 5'-guanylic acid,guanosine monophosphate,guanylic acid,guanosine-5'-monophosphate,guanosine 5'-monophosphate,5'-gmp,guanosine 5'-phosphate,guanylate,guanidine monophosphate,guanosine-phosphate |
| IUPAC Name | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate |
| InChI Key | RQFCJASXJCIDSX-UUOKFMHZSA-N |
| Molecular Formula | C10H14N5O8P |
EDTA Titrant Disodium, 0.0575M Standard Volumetric Solution, Macron Fine Chemicals™
CAS: 139-33-3 Molecular Formula: C10H14N2Na2O8 Molecular Weight (g/mol): 336.21 MDL Number: MFCD00070672,MFCD00003541,MFCD00070672,MFCD00150037 InChI Key: ZGTMUACCHSMWAC-UHFFFAOYSA-L Synonym: ethylenediaminetetraacetic acid disodium salt,edta na2,disodium 2-2-bis carboxymethyl amino ethyl-carboxymethyl amino acetic acid PubChem CID: 57339238 ChEBI: CHEBI:64734 IUPAC Name: disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate SMILES: [Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 57339238 |
|---|---|
| CAS | 139-33-3 |
| Molecular Weight (g/mol) | 336.21 |
| ChEBI | CHEBI:64734 |
| MDL Number | MFCD00070672,MFCD00003541,MFCD00070672,MFCD00150037 |
| SMILES | [Na+].[Na+].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O |
| Synonym | ethylenediaminetetraacetic acid disodium salt,edta na2,disodium 2-2-bis carboxymethyl amino ethyl-carboxymethyl amino acetic acid |
| IUPAC Name | disodium 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetate |
| InChI Key | ZGTMUACCHSMWAC-UHFFFAOYSA-L |
| Molecular Formula | C10H14N2Na2O8 |
Diethyl phenylthiomethylphosphonate, 96%
CAS: 38066-16-9 Molecular Formula: C11H17O3PS Molecular Weight (g/mol): 260.288 MDL Number: MFCD00015130 InChI Key: FBUXEPJJFVDUFE-UHFFFAOYSA-N Synonym: diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # PubChem CID: 99227 IUPAC Name: diethoxyphosphorylmethylsulfanylbenzene SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC
| PubChem CID | 99227 |
|---|---|
| CAS | 38066-16-9 |
| Molecular Weight (g/mol) | 260.288 |
| MDL Number | MFCD00015130 |
| SMILES | CCOP(=O)(CSC1=CC=CC=C1)OCC |
| Synonym | diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # |
| IUPAC Name | diethoxyphosphorylmethylsulfanylbenzene |
| InChI Key | FBUXEPJJFVDUFE-UHFFFAOYSA-N |
| Molecular Formula | C11H17O3PS |
beta-D-Galactose pentaacetate, 98%
CAS: 4163-60-4 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD00063259 InChI Key: LPTITAGPBXDDGR-LYYZXLFJSA-N Synonym: beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate PubChem CID: 94752 IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 94752 |
|---|---|
| CAS | 4163-60-4 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD00063259 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | beta-d-galactose pentaacetate,penta-o-acetyl-beta-d-galactopyranose,b-d-galactose pentaacetate,beta-d-galactopyranose pentaacetate,beta-d-galactosepentaacetate,beta-d-galactopyranose, pentaacetate,2s,3r,4s,5s,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,1,2,3,4,6-penta-o-acetyl-beta-d-galactose,1,2,3,4,6-penta-o-acetyl-beta-d-galactopyranose,2r,3s,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-LYYZXLFJSA-N |
| Molecular Formula | C16H22O11 |
3-(2-Methylphenyl)propionic acid, 96%
CAS: 22084-89-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00079773 InChI Key: JIRKNEAMPYVPTD-UHFFFAOYSA-N PubChem CID: 30938 IUPAC Name: 3-(2-methylphenyl)propanoic acid SMILES: CC1=CC=CC=C1CCC(=O)O
| PubChem CID | 30938 |
|---|---|
| CAS | 22084-89-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00079773 |
| SMILES | CC1=CC=CC=C1CCC(=O)O |
| IUPAC Name | 3-(2-methylphenyl)propanoic acid |
| InChI Key | JIRKNEAMPYVPTD-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
3-(2-Methoxycarbonylethyl)benzeneboronic acid, 97%
CAS: 833472-82-5 Molecular Formula: C10H13BO4 Molecular Weight (g/mol): 208.02 MDL Number: MFCD04115648 InChI Key: IPXZIWCEVNDHFD-UHFFFAOYSA-N Synonym: 3-2-methoxycarbonylethyl phenylboronic acid,methyl 3-3-boronophenyl propionate,3-3-methoxy-3-oxopropyl phenyl boronic acid,3-3-methoxy-3-oxopropyl phenylboronic acid,3-2-methoxycarbonylethyl phenyl boronic acid,acmc-209prx,benzenepropanoic acid,3-borono-, 1-methyl ester PubChem CID: 4993880 IUPAC Name: [3-(3-methoxy-3-oxopropyl)phenyl]boronic acid SMILES: COC(=O)CCC1=CC=CC(=C1)B(O)O
| PubChem CID | 4993880 |
|---|---|
| CAS | 833472-82-5 |
| Molecular Weight (g/mol) | 208.02 |
| MDL Number | MFCD04115648 |
| SMILES | COC(=O)CCC1=CC=CC(=C1)B(O)O |
| Synonym | 3-2-methoxycarbonylethyl phenylboronic acid,methyl 3-3-boronophenyl propionate,3-3-methoxy-3-oxopropyl phenyl boronic acid,3-3-methoxy-3-oxopropyl phenylboronic acid,3-2-methoxycarbonylethyl phenyl boronic acid,acmc-209prx,benzenepropanoic acid,3-borono-, 1-methyl ester |
| IUPAC Name | [3-(3-methoxy-3-oxopropyl)phenyl]boronic acid |
| InChI Key | IPXZIWCEVNDHFD-UHFFFAOYSA-N |
| Molecular Formula | C10H13BO4 |
meso-2,3-Dimercaptosuccinic acid, 98%
CAS: 304-55-2 Molecular Formula: C4H6O4S2 Molecular Weight (g/mol): 182.21 MDL Number: MFCD00064799 InChI Key: ACTRVOBWPAIOHC-XIXRPRMCSA-N Synonym: succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid PubChem CID: 2724354 ChEBI: CHEBI:63623 IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid SMILES: C(C(C(=O)O)S)(C(=O)O)S
| PubChem CID | 2724354 |
|---|---|
| CAS | 304-55-2 |
| Molecular Weight (g/mol) | 182.21 |
| ChEBI | CHEBI:63623 |
| MDL Number | MFCD00064799 |
| SMILES | C(C(C(=O)O)S)(C(=O)O)S |
| Synonym | succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid |
| IUPAC Name | (2S,3R)-2,3-bis(sulfanyl)butanedioic acid |
| InChI Key | ACTRVOBWPAIOHC-XIXRPRMCSA-N |
| Molecular Formula | C4H6O4S2 |
Urea, (Crystalline/Reagent Grade), MP Biomedicals
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |