Organic acids and derivatives
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5-Carbamoylpyridine-3-boronic acid pinacol ester, 96%
CAS: 1169402-51-0 Molecular Formula: C12H17BN2O3 Molecular Weight (g/mol): 248.089 MDL Number: MFCD11878274 InChI Key: NJLZODHYCOZPBJ-UHFFFAOYSA-N Synonym: 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nicotinamide,5-carbamoylpyridine-3-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carboxamide,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-nicotinamide,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl nicotinamide,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carboxamide,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinecarboxamide PubChem CID: 59023117 IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)N
| PubChem CID | 59023117 |
|---|---|
| CAS | 1169402-51-0 |
| Molecular Weight (g/mol) | 248.089 |
| MDL Number | MFCD11878274 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(=O)N |
| Synonym | 5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nicotinamide,5-carbamoylpyridine-3-boronic acid pinacol ester,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carboxamide,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-nicotinamide,5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl nicotinamide,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine-3-carboxamide,5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-3-pyridinecarboxamide |
| IUPAC Name | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide |
| InChI Key | NJLZODHYCOZPBJ-UHFFFAOYSA-N |
| Molecular Formula | C12H17BN2O3 |
Antipyrine, 99%
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
| PubChem CID | 2206 |
|---|---|
| CAS | 60-80-0 |
| Molecular Weight (g/mol) | 188.23 |
| ChEBI | CHEBI:31225 |
| MDL Number | MFCD00003146 |
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
| Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
| IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
trans-2-Hexenyl acetate, 98%
CAS: 2497-18-9 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00009474 InChI Key: HRHOWZHRCRZVCU-AATRIKPKSA-N Synonym: z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z PubChem CID: 2733294 IUPAC Name: [(E)-hex-2-enyl] acetate SMILES: CCCC=CCOC(=O)C
| PubChem CID | 2733294 |
|---|---|
| CAS | 2497-18-9 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00009474 |
| SMILES | CCCC=CCOC(=O)C |
| Synonym | z-hex-2-enyl acetate,unii-pt792bq57d,2-hexen-1-ol, acetate, z,z-2-hexenyl acetate,fema no. 2564,2-hexen-1-yl acetate, trans,2-hexen-1-ol, acetate, 2e,2-hexenyl acetate, trans,hexenyl acetate, 2z |
| IUPAC Name | [(E)-hex-2-enyl] acetate |
| InChI Key | HRHOWZHRCRZVCU-AATRIKPKSA-N |
| Molecular Formula | C8H14O2 |
| CAS | 108-73-6 |
|---|---|
| Molecular Weight (g/mol) | 126.11 g/mol |
3-(4-Bromophenyl)propionic acid, 98%, Thermo Scientific Chemicals
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Diethyl 2-thienylmethylphosphonate, 95%
CAS: 2026-42-8 Molecular Formula: C9H15O3PS Molecular Weight (g/mol): 234.25 MDL Number: MFCD00128457 InChI Key: GOJBUVQDOFHBLF-UHFFFAOYSA-N Synonym: diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene PubChem CID: 4185897 IUPAC Name: 2-(diethoxyphosphorylmethyl)thiophene SMILES: CCOP(=O)(CC1=CC=CS1)OCC
| PubChem CID | 4185897 |
|---|---|
| CAS | 2026-42-8 |
| Molecular Weight (g/mol) | 234.25 |
| MDL Number | MFCD00128457 |
| SMILES | CCOP(=O)(CC1=CC=CS1)OCC |
| Synonym | diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)thiophene |
| InChI Key | GOJBUVQDOFHBLF-UHFFFAOYSA-N |
| Molecular Formula | C9H15O3PS |
Alendronate sodium trihydrate, 97%
CAS: 121268-17-5 Molecular Formula: C4H18NNaO10P2 Molecular Weight (g/mol): 325.122 MDL Number: MFCD01748233 InChI Key: DCSBSVSZJRSITC-UHFFFAOYSA-M Synonym: alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan PubChem CID: 23681107 ChEBI: CHEBI:2566 IUPAC Name: sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]
| PubChem CID | 23681107 |
|---|---|
| CAS | 121268-17-5 |
| Molecular Weight (g/mol) | 325.122 |
| ChEBI | CHEBI:2566 |
| MDL Number | MFCD01748233 |
| SMILES | C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+] |
| Synonym | alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan |
| IUPAC Name | sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate |
| InChI Key | DCSBSVSZJRSITC-UHFFFAOYSA-M |
| Molecular Formula | C4H18NNaO10P2 |
Urea, ≥98%, Molecular Biology Reagent Grade, MP Biomedicals™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 MDL Number: MFCD00008022 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 |
| MDL Number | MFCD00008022 |
| 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 |
n-Propyl Gallate, MP Biomedicals™
CAS: 121-79-9 Molecular Formula: C10H12O5 Molecular Weight (g/mol): 212.2 MDL Number: MFCD00002196 InChI Key: ZTHYODDOHIVTJV-UHFFFAOYSA-N
| CAS | 121-79-9 |
|---|---|
| Molecular Weight (g/mol) | 212.2 |
| MDL Number | MFCD00002196 |
| InChI Key | ZTHYODDOHIVTJV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O5 |
Di-n-octyl phenylphosphonate, 97%
CAS: 1754-47-8 Molecular Formula: C22H39O3P Molecular Weight (g/mol): 382.53 MDL Number: MFCD00009561 InChI Key: HAKMAMKAFTZXOZ-UHFFFAOYSA-N Synonym: dioctyl phenylphosphonate,di-n-octyl phenylphosphonate,dioctylphenylphosphonate,phenylphosphonic acid dioctyl ester,benzenephosphonic acid, dioctyl ester,di-n-octyl phenyl phosphonate,dioctyl phenyl phosphonate,phosphonic acid, phenyl-, dioctyl ester,phosphonic acid, p-phenyl-, dioctyl ester,di-n-octylphenylphosphonat PubChem CID: 15641 IUPAC Name: dioctoxyphosphorylbenzene SMILES: CCCCCCCCOP(=O)(OCCCCCCCC)C1=CC=CC=C1
| PubChem CID | 15641 |
|---|---|
| CAS | 1754-47-8 |
| Molecular Weight (g/mol) | 382.53 |
| MDL Number | MFCD00009561 |
| SMILES | CCCCCCCCOP(=O)(OCCCCCCCC)C1=CC=CC=C1 |
| Synonym | dioctyl phenylphosphonate,di-n-octyl phenylphosphonate,dioctylphenylphosphonate,phenylphosphonic acid dioctyl ester,benzenephosphonic acid, dioctyl ester,di-n-octyl phenyl phosphonate,dioctyl phenyl phosphonate,phosphonic acid, phenyl-, dioctyl ester,phosphonic acid, p-phenyl-, dioctyl ester,di-n-octylphenylphosphonat |
| IUPAC Name | dioctoxyphosphorylbenzene |
| InChI Key | HAKMAMKAFTZXOZ-UHFFFAOYSA-N |
| Molecular Formula | C22H39O3P |
4-Aminoantipyrine, 97%
CAS: 83-07-8 Molecular Formula: C11H13N3O Molecular Weight (g/mol): 203.245 MDL Number: MFCD00003145 InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N Synonym: 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a PubChem CID: 2151 ChEBI: CHEBI:59026 IUPAC Name: 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
| PubChem CID | 2151 |
|---|---|
| CAS | 83-07-8 |
| Molecular Weight (g/mol) | 203.245 |
| ChEBI | CHEBI:59026 |
| MDL Number | MFCD00003145 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
| Synonym | 4-aminoantipyrine,ampyrone,metapirazone,aminoantipyrine,solvapyrin-a,aminoazophene,4-aminophenazone,4-aminoantipyrene,aminoantipyrin,solnapyrin-a |
| IUPAC Name | 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3O |
Diethyl fumarate, 98%
CAS: 623-91-6 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00064455 InChI Key: IEPRKVQEAMIZSS-AATRIKPKSA-N Synonym: diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a PubChem CID: 638144 ChEBI: CHEBI:87388 IUPAC Name: diethyl (E)-but-2-enedioate SMILES: CCOC(=O)\C=C\C(=O)OCC
| PubChem CID | 638144 |
|---|---|
| CAS | 623-91-6 |
| Molecular Weight (g/mol) | 172.18 |
| ChEBI | CHEBI:87388 |
| MDL Number | MFCD00064455 |
| SMILES | CCOC(=O)\C=C\C(=O)OCC |
| Synonym | diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a |
| IUPAC Name | diethyl (E)-but-2-enedioate |
| InChI Key | IEPRKVQEAMIZSS-AATRIKPKSA-N |
| Molecular Formula | C8H12O4 |
4-Nitrophenyl phosphate disodium salt hexahydrate, 5mg tablets, Thermo Scientific Chemicals
CAS: 4264-83-9 Molecular Formula: C6H4NNa2O6P Molecular Weight (g/mol): 263.05 MDL Number: MFCD00007319 InChI Key: VIYFPAMJCJLZKD-UHFFFAOYSA-L Synonym: pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system PubChem CID: 77949 IUPAC Name: disodium;(4-nitrophenyl) phosphate SMILES: [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1
| PubChem CID | 77949 |
|---|---|
| CAS | 4264-83-9 |
| Molecular Weight (g/mol) | 263.05 |
| MDL Number | MFCD00007319 |
| SMILES | [Na+].[Na+].[O-][N+](=O)C1=CC=C(OP([O-])([O-])=O)C=C1 |
| Synonym | pnpp,disodium 4-nitrophenylphosphate,sodium 4-nitrophenyl phosphate,disodium 4-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, disodium salt,disodium p-nitrophenyl phosphate,phosphoric acid, mono 4-nitrophenyl ester, sodium salt 1:2,p-nitrophenyl phosphate,pnpp liquid substrate system |
| IUPAC Name | disodium;(4-nitrophenyl) phosphate |
| InChI Key | VIYFPAMJCJLZKD-UHFFFAOYSA-L |
| Molecular Formula | C6H4NNa2O6P |
Ethyl (R)-(+)-4-chloro-3-hydroxybutyrate, 97%, ee 96%
CAS: 90866-33-4 Molecular Formula: C6H11ClO3 Molecular Weight (g/mol): 166.601 MDL Number: MFCD00211242 InChI Key: ZAJNMXDBJKCCAT-RXMQYKEDSA-N Synonym: ethyl r-+-4-chloro-3-hydroxybutyrate,r-ethyl 4-chloro-3-hydroxybutanoate,ethyl 3r-4-chloro-3-hydroxybutanoate,ethyl r-4-chloro-3-hydroxybutyrate,ethyl r-+-4-chloro-3-hydroxybutanoate,r-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-butyric acid ethyl ester,r-4-chloro-3-hydroxy-n-butyric acid ethyl ester,ethyl r-4-chloro-3-hydroxybutanoate,butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, 3r PubChem CID: 2734445 IUPAC Name: ethyl (3R)-4-chloro-3-hydroxybutanoate SMILES: CCOC(=O)CC(CCl)O
| PubChem CID | 2734445 |
|---|---|
| CAS | 90866-33-4 |
| Molecular Weight (g/mol) | 166.601 |
| MDL Number | MFCD00211242 |
| SMILES | CCOC(=O)CC(CCl)O |
| Synonym | ethyl r-+-4-chloro-3-hydroxybutyrate,r-ethyl 4-chloro-3-hydroxybutanoate,ethyl 3r-4-chloro-3-hydroxybutanoate,ethyl r-4-chloro-3-hydroxybutyrate,ethyl r-+-4-chloro-3-hydroxybutanoate,r-4-chloro-3-hydroxybutyric acid ethyl ester,s-4-chloro-3-hydroxy-butyric acid ethyl ester,r-4-chloro-3-hydroxy-n-butyric acid ethyl ester,ethyl r-4-chloro-3-hydroxybutanoate,butanoic acid, 4-chloro-3-hydroxy-, ethyl ester, 3r |
| IUPAC Name | ethyl (3R)-4-chloro-3-hydroxybutanoate |
| InChI Key | ZAJNMXDBJKCCAT-RXMQYKEDSA-N |
| Molecular Formula | C6H11ClO3 |
Ethyl thiophene-2-carboxylate, 98+%
CAS: 2810-04-0 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00005436 InChI Key: JZGZKRJVTIRPOK-UHFFFAOYSA-N PubChem CID: 76052 IUPAC Name: ethyl thiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=CS1
| PubChem CID | 76052 |
|---|---|
| CAS | 2810-04-0 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00005436 |
| SMILES | CCOC(=O)C1=CC=CS1 |
| IUPAC Name | ethyl thiophene-2-carboxylate |
| InChI Key | JZGZKRJVTIRPOK-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |