Organic acids and derivatives
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Thiophene-2-boronic acid pinacol ester, 98%
CAS: 193978-23-3 Molecular Formula: C10H15BO2S Molecular Weight (g/mol): 210.098 MDL Number: MFCD05663878 InChI Key: FFZHICFAHSDFKZ-UHFFFAOYSA-N Synonym: 2-thiopheneboronic acid pinacol ester,4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-thienyl-1,3,2-dioxaborolane,thiophene-2-boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophene,thiophene-2-boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-thienyl,4,4,5,5-tetramethyl-2-thien-2-yl-1,3,2-dioxaborolane,pubchem18441 PubChem CID: 10703628 IUPAC Name: 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2
| PubChem CID | 10703628 |
|---|---|
| CAS | 193978-23-3 |
| Molecular Weight (g/mol) | 210.098 |
| MDL Number | MFCD05663878 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=CS2 |
| Synonym | 2-thiopheneboronic acid pinacol ester,4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-2-thienyl-1,3,2-dioxaborolane,thiophene-2-boronic acid pinacol ester,2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl thiophene,thiophene-2-boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-2-thienyl,4,4,5,5-tetramethyl-2-thien-2-yl-1,3,2-dioxaborolane,pubchem18441 |
| IUPAC Name | 4,4,5,5-tetramethyl-2-thiophen-2-yl-1,3,2-dioxaborolane |
| InChI Key | FFZHICFAHSDFKZ-UHFFFAOYSA-N |
| Molecular Formula | C10H15BO2S |
Ethyl 2,2-difluoropropionate, 97%
CAS: 28781-85-3 Molecular Formula: C5H8F2O2 Molecular Weight (g/mol): 138.114 MDL Number: MFCD06657970 InChI Key: ISVLDAIKRGXNCZ-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester PubChem CID: 2761188 IUPAC Name: ethyl 2,2-difluoropropanoate SMILES: CCOC(=O)C(C)(F)F
| PubChem CID | 2761188 |
|---|---|
| CAS | 28781-85-3 |
| Molecular Weight (g/mol) | 138.114 |
| MDL Number | MFCD06657970 |
| SMILES | CCOC(=O)C(C)(F)F |
| Synonym | 2,2-difluoropropionic acid ethyl ester,ethyl 2,2-difluoropropionate,2,2-difluoropropionicacidethylester,2,2-difluoro-propionic acid ethyl ester,propanoic acid, 2,2-difluoro-, ethyl ester,ethyl difluoropropionate,ethyl 2,2 difluoropropionate,difluoropropionic acid ethyl ester,2,2-difluoropropionic acidethyl ester |
| IUPAC Name | ethyl 2,2-difluoropropanoate |
| InChI Key | ISVLDAIKRGXNCZ-UHFFFAOYSA-N |
| Molecular Formula | C5H8F2O2 |
2-(1,3-Dioxolan-2-yl)ethylboronic acid pinacol ester, 97%
CAS: 1073354-07-0 Molecular Formula: C11H21BO4 Molecular Weight (g/mol): 228.095 MDL Number: MFCD03788722 InChI Key: DNBRLKJRBDIKOO-UHFFFAOYSA-N Synonym: 2-2-1,3-dioxolan-2-yl ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-1,3-dioxolan-2-yl ethylboronic acid pinacol ester,2-1,3-dioxolan-2-yl-1-ethylboronic acid pinacol ester PubChem CID: 46739008 IUPAC Name: 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CCC2OCCO2
| PubChem CID | 46739008 |
|---|---|
| CAS | 1073354-07-0 |
| Molecular Weight (g/mol) | 228.095 |
| MDL Number | MFCD03788722 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CCC2OCCO2 |
| Synonym | 2-2-1,3-dioxolan-2-yl ethyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-1,3-dioxolan-2-yl ethylboronic acid pinacol ester,2-1,3-dioxolan-2-yl-1-ethylboronic acid pinacol ester |
| IUPAC Name | 2-[2-(1,3-dioxolan-2-yl)ethyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | DNBRLKJRBDIKOO-UHFFFAOYSA-N |
| Molecular Formula | C11H21BO4 |
Diethyl acetylmethylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 1067-71-6 Molecular Formula: C7H15O4P Molecular Weight (g/mol): 194.167 MDL Number: MFCD00044728 InChI Key: RSAFKRSMGOSHRK-UHFFFAOYSA-N Synonym: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate PubChem CID: 14028 IUPAC Name: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC
| PubChem CID | 14028 |
|---|---|
| CAS | 1067-71-6 |
| Molecular Weight (g/mol) | 194.167 |
| MDL Number | MFCD00044728 |
| SMILES | CCOP(=O)(CC(=O)C)OCC |
| Synonym | diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate |
| IUPAC Name | 1-diethoxyphosphorylpropan-2-one |
| InChI Key | RSAFKRSMGOSHRK-UHFFFAOYSA-N |
| Molecular Formula | C7H15O4P |
Quinoxaline-6-carboxylic acid, 95%
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD01365834 InChI Key: JGQDBVXRYDEWGM-UHFFFAOYSA-N Synonym: 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid PubChem CID: 674813 IUPAC Name: quinoxaline-6-carboxylic acid SMILES: C1=CC2=NC=CN=C2C=C1C(=O)O
| PubChem CID | 674813 |
|---|---|
| CAS | 6925-00-4 |
| Molecular Weight (g/mol) | 174.159 |
| MDL Number | MFCD01365834 |
| SMILES | C1=CC2=NC=CN=C2C=C1C(=O)O |
| Synonym | 6-quinoxalinecarboxylic acid,chinoxalin-6-carbonsaeure,quinoxaline-6-carboxylicacid,pubchem15419,quinoxaline-6-carboxylic acid |
| IUPAC Name | quinoxaline-6-carboxylic acid |
| InChI Key | JGQDBVXRYDEWGM-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
4-Hydroxy-3,6-dimethyl-2-pyrone, 97%
CAS: 5192-62-1 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.138 MDL Number: MFCD00090424 InChI Key: VVBIGJOVPZMWGU-UHFFFAOYSA-N Synonym: 4-hydroxy-3,6-dimethyl-2h-pyran-2-one,3,6-dimethyl-4-hydroxy-2-pyrone,chembl51918,2h-pyran-2-one, 4-hydroxy-3,6-dimethyl,2-hydroxy-3,6-dimethylpyran-4-one,hdmpo,2-hydroxy-3,6-dimethyl-4h-pyran-4-one,acmc-20amh7,methyl triacetic lactone,4-hydroxy-3,6-dimethyl-2-pyrone PubChem CID: 54690337 IUPAC Name: 4-hydroxy-3,6-dimethylpyran-2-one SMILES: CC1=CC(=C(C(=O)O1)C)O
| PubChem CID | 54690337 |
|---|---|
| CAS | 5192-62-1 |
| Molecular Weight (g/mol) | 140.138 |
| MDL Number | MFCD00090424 |
| SMILES | CC1=CC(=C(C(=O)O1)C)O |
| Synonym | 4-hydroxy-3,6-dimethyl-2h-pyran-2-one,3,6-dimethyl-4-hydroxy-2-pyrone,chembl51918,2h-pyran-2-one, 4-hydroxy-3,6-dimethyl,2-hydroxy-3,6-dimethylpyran-4-one,hdmpo,2-hydroxy-3,6-dimethyl-4h-pyran-4-one,acmc-20amh7,methyl triacetic lactone,4-hydroxy-3,6-dimethyl-2-pyrone |
| IUPAC Name | 4-hydroxy-3,6-dimethylpyran-2-one |
| InChI Key | VVBIGJOVPZMWGU-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
3-(4-Nitrophenyl)propionic acid, 96%
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
2-Chloro-N-cyclopropylacetamide, 97%
CAS: 19047-31-5 Molecular Formula: C5H8ClNO Molecular Weight (g/mol): 133.58 MDL Number: MFCD00276391 InChI Key: ZPWIVSGEQGESFF-UHFFFAOYSA-N Synonym: n1-cyclopropyl-2-chloroacetamide,2-chloro-n-cyclopropyl-acetamide,n-cyclopropylchloroacetamide,acetamide,2-chloro-n-cyclopropyl PubChem CID: 735780 IUPAC Name: 2-chloro-N-cyclopropylacetamide SMILES: ClCC(=O)NC1CC1
| PubChem CID | 735780 |
|---|---|
| CAS | 19047-31-5 |
| Molecular Weight (g/mol) | 133.58 |
| MDL Number | MFCD00276391 |
| SMILES | ClCC(=O)NC1CC1 |
| Synonym | n1-cyclopropyl-2-chloroacetamide,2-chloro-n-cyclopropyl-acetamide,n-cyclopropylchloroacetamide,acetamide,2-chloro-n-cyclopropyl |
| IUPAC Name | 2-chloro-N-cyclopropylacetamide |
| InChI Key | ZPWIVSGEQGESFF-UHFFFAOYSA-N |
| Molecular Formula | C5H8ClNO |
1-Decanesulfonic Acid Sodium Salt, Approx. 99%, Spectrum™ Chemical
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CAS: 13419-61-9
| CAS | 13419-61-9 |
|---|
DL-2-Bromopropionic acid, 99%
CAS: 598-72-1 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00004211,MFCD00145205 InChI Key: MONMFXREYOKQTI-UHFFFAOYNA-N Synonym: 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo PubChem CID: 11729 IUPAC Name: 2-bromopropanoic acid SMILES: CC(Br)C(O)=O
| PubChem CID | 11729 |
|---|---|
| CAS | 598-72-1 |
| Molecular Weight (g/mol) | 152.98 |
| MDL Number | MFCD00004211,MFCD00145205 |
| SMILES | CC(Br)C(O)=O |
| Synonym | 2-bromopropionic acid,propanoic acid, 2-bromo,dl-2-bromopropionic,propionic acid, 2-bromo,alpha-bromopropionic acid,dl-2-bromopropionic acid,2-bromo-propionic acid,.alpha.-bromopropionic acid,propanoic acid, bromo,propanoicacid, 2-bromo |
| IUPAC Name | 2-bromopropanoic acid |
| InChI Key | MONMFXREYOKQTI-UHFFFAOYNA-N |
| Molecular Formula | C3H5BrO2 |
Spectrum Chemical Manufacturing Corporation Sodium Gluconate, USP, 98-102%, Spectrum™ Chemical
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.14 InChI Key: UPMFZISCCZSDND-UHFFFAOYNA-M IUPAC Name: sodium 2,3,4,5,6-pentahydroxyhexanoate SMILES: [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O
| CAS | 527-07-1 |
|---|---|
| Molecular Weight (g/mol) | 218.14 |
| SMILES | [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O |
| IUPAC Name | sodium 2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-UHFFFAOYNA-M |
| Molecular Formula | C6H11NaO7 |
Methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate, 95%, Thermo Scientific™
CAS: 69687-80-5 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.181 MDL Number: MFCD00203859 InChI Key: OQWZEJIISPYZPW-UHFFFAOYSA-N Synonym: methyl 2,5-dimethylpyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester,2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester,maybridge1_008495,acmc-1b2uc,2,5-dimethyl,4-carbomethoxy pyrrole,2,5-dimethylpyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylicacid,2,5-dimethyl-,methyl ester,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-, methyl ester PubChem CID: 592729 IUPAC Name: methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate SMILES: CC1=CC(=C(N1)C)C(=O)OC
| PubChem CID | 592729 |
|---|---|
| CAS | 69687-80-5 |
| Molecular Weight (g/mol) | 153.181 |
| MDL Number | MFCD00203859 |
| SMILES | CC1=CC(=C(N1)C)C(=O)OC |
| Synonym | methyl 2,5-dimethylpyrrole-3-carboxylate,1h-pyrrole-3-carboxylic acid, 2,5-dimethyl-, methyl ester,2,5-dimethyl-1h-pyrrole-3-carboxylic acid methyl ester,maybridge1_008495,acmc-1b2uc,2,5-dimethyl,4-carbomethoxy pyrrole,2,5-dimethylpyrrole-3-carboxylic acid methyl ester,1h-pyrrole-3-carboxylicacid,2,5-dimethyl-,methyl ester,1h-pyrrole-3-carboxylicacid, 2,5-dimethyl-, methyl ester |
| IUPAC Name | methyl 2,5-dimethyl-1H-pyrrole-3-carboxylate |
| InChI Key | OQWZEJIISPYZPW-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
2(5H)-Furanone, 96%
CAS: 497-23-4 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00005376 InChI Key: VIHAEDVKXSOUAT-UHFFFAOYSA-N Synonym: 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone PubChem CID: 10341 ChEBI: CHEBI:38118 IUPAC Name: 2H-furan-5-one SMILES: O=C1OCC=C1
| PubChem CID | 10341 |
|---|---|
| CAS | 497-23-4 |
| Molecular Weight (g/mol) | 84.07 |
| ChEBI | CHEBI:38118 |
| MDL Number | MFCD00005376 |
| SMILES | O=C1OCC=C1 |
| Synonym | 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone |
| IUPAC Name | 2H-furan-5-one |
| InChI Key | VIHAEDVKXSOUAT-UHFFFAOYSA-N |
| Molecular Formula | C4H4O2 |
1,3-Diazaspiro[4.5]decane-2,4-dione, 97%, Thermo Scientific™
CAS: 702-62-5 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.196 MDL Number: MFCD00022404 InChI Key: NERNEXMEYQFFHU-UHFFFAOYSA-N Synonym: 1,3-diazaspiro 4.5 decane-2,4-dione,5,5-pentamethylenehydantoin,hydantoin, pentamethylene,5,5'-cyclohexanespirohydantoin,5,5-pentamethylenespirohydantoin,hydantoin, 5,5-pentamethylene,cyclohexanespiro-5'-hydantoin,spiro cyclohexane-1,5'-hydantoin,2,4-diazaspiro 4.5 decane-1,3-dione,cyclohexane-spiro-5-hydantoin PubChem CID: 12799 IUPAC Name: 1,3-diazaspiro[4.5]decane-2,4-dione SMILES: C1CCC2(CC1)C(=O)NC(=O)N2
| PubChem CID | 12799 |
|---|---|
| CAS | 702-62-5 |
| Molecular Weight (g/mol) | 168.196 |
| MDL Number | MFCD00022404 |
| SMILES | C1CCC2(CC1)C(=O)NC(=O)N2 |
| Synonym | 1,3-diazaspiro 4.5 decane-2,4-dione,5,5-pentamethylenehydantoin,hydantoin, pentamethylene,5,5'-cyclohexanespirohydantoin,5,5-pentamethylenespirohydantoin,hydantoin, 5,5-pentamethylene,cyclohexanespiro-5'-hydantoin,spiro cyclohexane-1,5'-hydantoin,2,4-diazaspiro 4.5 decane-1,3-dione,cyclohexane-spiro-5-hydantoin |
| IUPAC Name | 1,3-diazaspiro[4.5]decane-2,4-dione |
| InChI Key | NERNEXMEYQFFHU-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O2 |
Amyl Acetate, Mixed Isomers, Purified, J.T. Baker™
CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C
| PubChem CID | 12348 |
|---|---|
| CAS | 628-63-7 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:87362 |
| SMILES | CCCCCOC(=O)C |
| Synonym | amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether |
| IUPAC Name | pentyl acetate |
| InChI Key | PGMYKACGEOXYJE-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |