Carboxylic acids and derivatives
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Allyl acetate, 97%
CAS: 591-87-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00008721 InChI Key: FWZUNOYOVVKUNF-UHFFFAOYSA-N Synonym: allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i PubChem CID: 11584 IUPAC Name: prop-2-enyl acetate SMILES: CC(=O)OCC=C
| PubChem CID | 11584 |
|---|---|
| CAS | 591-87-7 |
| Molecular Weight (g/mol) | 100.117 |
| MDL Number | MFCD00008721 |
| SMILES | CC(=O)OCC=C |
| Synonym | allyl acetate,3-acetoxypropene,acetic acid, 2-propenyl ester,2-propenyl acetate,2-propenyl ethanoate,3-acetoxy-1-propene,allylacetate,acetic acid, allyl ester,2-propenyl methanoate,unii-e4u5e5990i |
| IUPAC Name | prop-2-enyl acetate |
| InChI Key | FWZUNOYOVVKUNF-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
6-Quinoxalinecarboxylic acid, 95%, Thermo Scientific™
CAS: 6925-00-4 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 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 |
| 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 |
| Optical Rotation | [α]/D -28°C ± 2°C = 0.1 in. H218O |
|---|---|
| Percent Purity | ≥92% (HPLC) |
| Linear Formula | C10D3H14NO6 · xLi+ |
| CAS | 1803252-71-2 (Free Acid) |
| Flash Point | Not applicable |
| Grade | Analytical Standard |
| Recommended Storage | -20°C |
| Shelf Life | Limited shelf life, expiry date on the label |
| Molecular Formula | C10D3H14NO6 · xLi+ |
| Formula Weight | 250.26 (Free Acid Basis) |
Ethyl benzimidazole-4-carboxylate, 95%, Thermo Scientific Chemicals
CAS: 167487-83-4 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD18251681,MFCD20692524 InChI Key: BIROFVBTDWNLKU-UHFFFAOYSA-N Synonym: ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester PubChem CID: 13180239 IUPAC Name: ethyl 1H-1,3-benzodiazole-4-carboxylate SMILES: CCOC(=O)C1=C2N=CNC2=CC=C1
| PubChem CID | 13180239 |
|---|---|
| CAS | 167487-83-4 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD18251681,MFCD20692524 |
| SMILES | CCOC(=O)C1=C2N=CNC2=CC=C1 |
| Synonym | ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 1H-1,3-benzodiazole-4-carboxylate |
| InChI Key | BIROFVBTDWNLKU-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |
Ethyl propionate
CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC
| PubChem CID | 7749 |
|---|---|
| CAS | 105-37-3 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:41330 |
| MDL Number | MFCD00009308 |
| SMILES | CCC(=O)OCC |
| Synonym | ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester |
| IUPAC Name | ethyl propanoate |
| InChI Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Vinyl benzoate, 95%
CAS: 769-78-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00048141 InChI Key: KOZCZZVUFDCZGG-UHFFFAOYSA-N Synonym: vinyl benzoate,benzoic acid vinyl ester,benzoic acid, ethenyl ester,benzoic acid, vinyl ester,unii-f1e7c1ggku,vinylester kyseliny benzoove,vinylester kyseliny benzoove czech,f1e7c1ggku,benzoic acid, ethenyl ester 9ci,benzoic acid vinyl PubChem CID: 13037 ChEBI: CHEBI:84279 IUPAC Name: ethenyl benzoate SMILES: C=COC(=O)C1=CC=CC=C1
| PubChem CID | 13037 |
|---|---|
| CAS | 769-78-8 |
| Molecular Weight (g/mol) | 148.161 |
| ChEBI | CHEBI:84279 |
| MDL Number | MFCD00048141 |
| SMILES | C=COC(=O)C1=CC=CC=C1 |
| Synonym | vinyl benzoate,benzoic acid vinyl ester,benzoic acid, ethenyl ester,benzoic acid, vinyl ester,unii-f1e7c1ggku,vinylester kyseliny benzoove,vinylester kyseliny benzoove czech,f1e7c1ggku,benzoic acid, ethenyl ester 9ci,benzoic acid vinyl |
| IUPAC Name | ethenyl benzoate |
| InChI Key | KOZCZZVUFDCZGG-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
N-tert-Butylacrylamide, 97%
CAS: 107-58-4 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00026271 InChI Key: XFHJDMUEHUHAJW-UHFFFAOYSA-N Synonym: n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide PubChem CID: 7877 IUPAC Name: N-tert-butylprop-2-enamide SMILES: CC(C)(C)NC(=O)C=C
| PubChem CID | 7877 |
|---|---|
| CAS | 107-58-4 |
| Molecular Weight (g/mol) | 127.19 |
| MDL Number | MFCD00026271 |
| SMILES | CC(C)(C)NC(=O)C=C |
| Synonym | n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide |
| IUPAC Name | N-tert-butylprop-2-enamide |
| InChI Key | XFHJDMUEHUHAJW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
Methyl 3-methylthiophene-2-carboxylate, 99%
CAS: 81452-54-2 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00234332 InChI Key: BRWROFVPMUPMJQ-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b PubChem CID: 580757 IUPAC Name: methyl 3-methylthiophene-2-carboxylate SMILES: COC(=O)C1=C(C)C=CS1
| PubChem CID | 580757 |
|---|---|
| CAS | 81452-54-2 |
| Molecular Weight (g/mol) | 156.20 |
| MDL Number | MFCD00234332 |
| SMILES | COC(=O)C1=C(C)C=CS1 |
| Synonym | methyl 3-methyl-2-thiophenecarboxylate,3-methylthiophene-2-carboxylic acid methyl ester,3-methyl-thiophene-2-carboxylic acid methyl ester,2-thiophenecarboxylic acid, 3-methyl-, methyl ester,methyl 3-methyl-thiophene-2-carboxylate,d methyl ester,3-methyl-thiophene-2-carboxylic acid,pubchem10098,pubchem22915,ksc495k9b |
| IUPAC Name | methyl 3-methylthiophene-2-carboxylate |
| InChI Key | BRWROFVPMUPMJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2S |
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 |
Zinc propionate, 97%
CAS: 557-28-8 Molecular Formula: C6H10O4Zn Molecular Weight (g/mol): 211.52 MDL Number: MFCD00045937 InChI Key: XDWXRAYGALQIFG-UHFFFAOYSA-L Synonym: zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic PubChem CID: 11189 IUPAC Name: zinc;propanoate SMILES: [Zn++].CCC([O-])=O.CCC([O-])=O
| PubChem CID | 11189 |
|---|---|
| CAS | 557-28-8 |
| Molecular Weight (g/mol) | 211.52 |
| MDL Number | MFCD00045937 |
| SMILES | [Zn++].CCC([O-])=O.CCC([O-])=O |
| Synonym | zinc propionate,unii-81pxa87xvc,81pxa87xvc,propanoic acid, zinc salt 2:1,gyna-plex,propionic acid, zinc salt,zinc dipropionate,propanoic acid, zinc salt,zinc propanoate,propanoic acid, zinc salt, basic |
| IUPAC Name | zinc;propanoate |
| InChI Key | XDWXRAYGALQIFG-UHFFFAOYSA-L |
| Molecular Formula | C6H10O4Zn |
2-Chlorodibenzo[b,f]-1,4-oxazepin-11(10H)-one, 97%
CAS: 3158-91-6 Molecular Formula: C13H8ClNO2 Molecular Weight (g/mol): 245.662 MDL Number: MFCD06658244 InChI Key: ZAGINEPNYIZLLO-UHFFFAOYSA-N Synonym: 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one PubChem CID: 13000266 IUPAC Name: 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one SMILES: C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl
| PubChem CID | 13000266 |
|---|---|
| CAS | 3158-91-6 |
| Molecular Weight (g/mol) | 245.662 |
| MDL Number | MFCD06658244 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C3=C(O2)C=CC(=C3)Cl |
| Synonym | 2-chlorodibenz b,f 1,4 oxazepin-11 10h-one,2-chlorodibenzo b,f 1,4 oxazepin-11 10h-one,2-chloro-10,11-dihydro-11-oxo-dibenzo b,f 1,4 oxazepine,unii-xtg2e7m36o,xtg2e7m36o,2-chlorodibenzo b,f-1,4-oxazepin-11-one,2-chlorodibenzo b,f-1,4-oxazepin-11 10h-one,dibenz b,f 1,4 oxazepin-11 10h-one, 2-chloro,13-chloro-2-oxa-9-azatricyclo 9.4.0.0 3 ,? pentadeca-1 15 ,3 8 ,4,6,11,13-hexaen-10-one |
| IUPAC Name | 8-chloro-5H-benzo[b][1,4]benzoxazepin-6-one |
| InChI Key | ZAGINEPNYIZLLO-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO2 |
Triformamide, 97%, Thermo Scientific™
CAS: 25891-31-0 MDL Number: MFCD08059356 InChI Key: PFBAGGWJGZAGCG-UHFFFAOYSA-N Synonym: triformamide PubChem CID: 6419719 IUPAC Name: N,N-diformylformamide SMILES: C(=O)N(C=O)C=O
| PubChem CID | 6419719 |
|---|---|
| CAS | 25891-31-0 |
| MDL Number | MFCD08059356 |
| SMILES | C(=O)N(C=O)C=O |
| Synonym | triformamide |
| IUPAC Name | N,N-diformylformamide |
| InChI Key | PFBAGGWJGZAGCG-UHFFFAOYSA-N |
Clomiphene citrate salt, MP Biomedicals™
CAS: 50-41-9 Molecular Formula: C32H36ClNO8 Molecular Weight (g/mol): 598.089 InChI Key: PYTMYKVIJXPNBD-BTKVJIOYSA-N Synonym: clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate PubChem CID: 6420009 IUPAC Name: 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 6420009 |
|---|---|
| CAS | 50-41-9 |
| Molecular Weight (g/mol) | 598.089 |
| SMILES | CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | clomifene citrate,clomiphene citrate,clomid,cis-clomiphene citrate,clomiphene a citrate,zuclomid,chloramiphene,milophene,serophene,z-clomiphene citrate |
| IUPAC Name | 2-[4-[(E)-2-chloro-1,2-diphenylethenyl]phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | PYTMYKVIJXPNBD-BTKVJIOYSA-N |
| Molecular Formula | C32H36ClNO8 |
Butyl Butyrate, 98%, Spectrum™ Chemical
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CAS: 109-21-7
| CAS | 109-21-7 |
|---|
2-Methylcyclopropanecarboxylic acid, cis + trans, 96%
CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O
| PubChem CID | 99873 |
|---|---|
| CAS | 29555-02-0 |
| Molecular Weight (g/mol) | 99.11 |
| MDL Number | MFCD00001293 |
| SMILES | C[C@H]1C[C@H]1C([O-])=O |
| Synonym | 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl |
| IUPAC Name | 2-methylcyclopropane-1-carboxylic acid |
| InChI Key | AYEGPMGNMOIHDL-IUYQGCFVSA-M |
| Molecular Formula | C5H7O2 |