Carboxylic acids and derivatives
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trans-Methyl crotonate, 96%
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 SMILES: COC(=O)\C=C\C
| PubChem CID | 638132 |
|---|---|
| CAS | 623-43-8 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00009287 |
| SMILES | COC(=O)\C=C\C |
| Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
| InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| Molecular Formula | C5H8O2 |
3-(3-Bromophenyl)propionic acid, 97%
CAS: 42287-90-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310792 InChI Key: DWKWMFSWLCIMKI-UHFFFAOYSA-N Synonym: 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid PubChem CID: 2063862 IUPAC Name: 3-(3-bromophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)Br)CCC(=O)O
| PubChem CID | 2063862 |
|---|---|
| CAS | 42287-90-1 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310792 |
| SMILES | C1=CC(=CC(=C1)Br)CCC(=O)O |
| Synonym | 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid |
| IUPAC Name | 3-(3-bromophenyl)propanoic acid |
| InChI Key | DWKWMFSWLCIMKI-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Sodium Citrate, Dihydrate, Granular, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 1545801 Molecular Formula: C6H9Na3O9 Molecular Weight (g/mol): 294.1 InChI Key: NLJMYIDDQXHKNR-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate SMILES: O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 1545801 |
|---|---|
| Molecular Weight (g/mol) | 294.1 |
| SMILES | O.O.[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate dihydrate |
| InChI Key | NLJMYIDDQXHKNR-UHFFFAOYSA-K |
| Molecular Formula | C6H9Na3O9 |
Methyl formate, 98%, for spectroscopy
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 |
3-Amino-4,5-dihydro-1-phenyl-1H-pyrazole, 98+%
CAS: 3314-35-0 Molecular Formula: C9H11N3 Molecular Weight (g/mol): 161.208 MDL Number: MFCD00051730 InChI Key: QENUTIJJGGTTPE-UHFFFAOYSA-N Synonym: 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline PubChem CID: 98736 IUPAC Name: 2-phenyl-3,4-dihydropyrazol-5-amine SMILES: C1CN(N=C1N)C2=CC=CC=C2
| PubChem CID | 98736 |
|---|---|
| CAS | 3314-35-0 |
| Molecular Weight (g/mol) | 161.208 |
| MDL Number | MFCD00051730 |
| SMILES | C1CN(N=C1N)C2=CC=CC=C2 |
| Synonym | 1-phenyl-4,5-dihydro-1h-pyrazol-3-amine,2-pyrazoline, 3-amino-1-phenyl,1-fenyl-3-aminopyrazolin,3-amino-1-phenyl-2-pyrazoline,1-phenyl-4,5-dihydro-1h-pyrazol-3-ylamine,3-amino-4,5-dihydro-1-phenylpyrazole,pyrazolidine, 3-imino-1-phenyl,4,5-dihydro-1-phenyl-1h-pyrazol-3-amine,3-amino-1-fenyl-2-pyrazolin,1-phenyl-3-amino-2-pyrazoline |
| IUPAC Name | 2-phenyl-3,4-dihydropyrazol-5-amine |
| InChI Key | QENUTIJJGGTTPE-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3 |
Succinic acid disodium salt, for biochemistry, anhydrous
CAS: 150-90-3 Molecular Formula: C4H4Na2O4 Molecular Weight (g/mol): 162.052 InChI Key: ZDQYSKICYIVCPN-UHFFFAOYSA-L Synonym: disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 PubChem CID: 9020 ChEBI: CHEBI:63675 IUPAC Name: disodium;butanedioate SMILES: C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]
| PubChem CID | 9020 |
|---|---|
| CAS | 150-90-3 |
| Molecular Weight (g/mol) | 162.052 |
| ChEBI | CHEBI:63675 |
| SMILES | C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+] |
| Synonym | disodium succinate,sodium succinate,disodium butanedioate,butanedioic acid, disodium salt,soduxin,succinic acid disodium salt,jantaran sodny czech,unii-v8zgc8isr3,succinic acid, disodium salt,fema no. 3277 |
| IUPAC Name | disodium;butanedioate |
| InChI Key | ZDQYSKICYIVCPN-UHFFFAOYSA-L |
| Molecular Formula | C4H4Na2O4 |
Ethyl decanoate, 99%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.322 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Ethyl formate, 98+%, Extra Dry, AcroSeal™
CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O
| PubChem CID | 8025 |
|---|---|
| CAS | 109-94-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:52342 |
| MDL Number | MFCD00003294 |
| SMILES | CCOC=O |
| Synonym | areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat |
| IUPAC Name | ethyl formate |
| InChI Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Methyl 4-bromocrotonate, tech. 85%
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| IUPAC Name | methyl (E)-4-bromobut-2-enoate |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
4'-Bromoacetanilide, 98%
CAS: 103-88-8 Molecular Formula: C8H8BrNO Molecular Weight (g/mol): 214.06 MDL Number: MFCD00000092 InChI Key: MSLICLMCQYQNPK-UHFFFAOYSA-N Synonym: 4'-bromoacetanilide,n-4-bromophenyl acetamide,p-bromoacetanilide,4-bromoacetanilide,bromoanilide,acetamide, n-4-bromophenyl,antisepsin,bromoantifebrin,asepsin,p-bromo-n-acetanilide PubChem CID: 7683 IUPAC Name: N-(4-bromophenyl)acetamide SMILES: CC(=O)NC1=CC=C(Br)C=C1
| PubChem CID | 7683 |
|---|---|
| CAS | 103-88-8 |
| Molecular Weight (g/mol) | 214.06 |
| MDL Number | MFCD00000092 |
| SMILES | CC(=O)NC1=CC=C(Br)C=C1 |
| Synonym | 4'-bromoacetanilide,n-4-bromophenyl acetamide,p-bromoacetanilide,4-bromoacetanilide,bromoanilide,acetamide, n-4-bromophenyl,antisepsin,bromoantifebrin,asepsin,p-bromo-n-acetanilide |
| IUPAC Name | N-(4-bromophenyl)acetamide |
| InChI Key | MSLICLMCQYQNPK-UHFFFAOYSA-N |
| Molecular Formula | C8H8BrNO |
1-Methylcyclopropanecarboxylic acid, 98%
CAS: 6914-76-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001290 InChI Key: DIZKLZKLNKQFGB-UHFFFAOYSA-N Synonym: 1-methylcyclopropanecarboxylic acid,1-methyl-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-methyl,cyclopropanecarboxylicacid, 1-methyl,pubchem16037,1-methylcyclopropanoic acid,acmc-209o6g,d07fpq,1-carboxy-1-methylcyclopropane,dizklzklnkqfgb-uhfffaoysa PubChem CID: 81326 IUPAC Name: 1-methylcyclopropane-1-carboxylic acid SMILES: CC1(CC1)C(=O)O
| PubChem CID | 81326 |
|---|---|
| CAS | 6914-76-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00001290 |
| SMILES | CC1(CC1)C(=O)O |
| Synonym | 1-methylcyclopropanecarboxylic acid,1-methyl-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-methyl,cyclopropanecarboxylicacid, 1-methyl,pubchem16037,1-methylcyclopropanoic acid,acmc-209o6g,d07fpq,1-carboxy-1-methylcyclopropane,dizklzklnkqfgb-uhfffaoysa |
| IUPAC Name | 1-methylcyclopropane-1-carboxylic acid |
| InChI Key | DIZKLZKLNKQFGB-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Methyl 1H-pyrazole-3-carboxylate, 97%, Thermo Scientific Chemicals
CAS: 15366-34-4 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00649381 InChI Key: ORUCTBNNYKZMSK-UHFFFAOYSA-N Synonym: methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole PubChem CID: 565662 IUPAC Name: methyl 1H-pyrazole-5-carboxylate SMILES: COC(=O)C1=CC=NN1
| PubChem CID | 565662 |
|---|---|
| CAS | 15366-34-4 |
| Molecular Weight (g/mol) | 126.115 |
| MDL Number | MFCD00649381 |
| SMILES | COC(=O)C1=CC=NN1 |
| Synonym | methyl 1h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid methyl ester,methyl pyrazole-3-carboxylate,2h-pyrazole-3-carboxylic acid methyl ester,3-methoxycarbonylpyrazole,pyrazole-3-carboxylic acid methyl ester,methyl 2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, methyl ester,pubchem14332,5-methoxycarbonylpyrazole |
| IUPAC Name | methyl 1H-pyrazole-5-carboxylate |
| InChI Key | ORUCTBNNYKZMSK-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O2 |
Sodium oxalate, 99.5%, for analysis, Thermo Scientific Chemicals
CAS: 62-76-0 Molecular Formula: C2Na2O4 Molecular Weight (g/mol): 134.00 MDL Number: MFCD00012465 InChI Key: ZNCPFRVNHGOPAG-UHFFFAOYSA-L Synonym: sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt PubChem CID: 6125 IUPAC Name: disodium;oxalate SMILES: [Na+].[Na+].[O-]C(=O)C([O-])=O
| PubChem CID | 6125 |
|---|---|
| CAS | 62-76-0 |
| Molecular Weight (g/mol) | 134.00 |
| MDL Number | MFCD00012465 |
| SMILES | [Na+].[Na+].[O-]C(=O)C([O-])=O |
| Synonym | sodium oxalate,disodium oxalate,natriumoxalat,ethanedioic acid, disodium salt,oxalic acid, disodium salt,natriumoxalat german,stavelan sodny czech,oxalic acid disodium salt,unii-7u0v68lt9x,ethanedioic acid disodium salt |
| IUPAC Name | disodium;oxalate |
| InChI Key | ZNCPFRVNHGOPAG-UHFFFAOYSA-L |
| Molecular Formula | C2Na2O4 |
Methyl indole-2-carboxylate, 97%
CAS: 1202-04-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00460779 InChI Key: NQPIEWBAWBFGOB-UHFFFAOYSA-N Synonym: methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 PubChem CID: 70992 IUPAC Name: methyl 1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 70992 |
|---|---|
| CAS | 1202-04-6 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00460779 |
| SMILES | COC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 |
| IUPAC Name | methyl 1H-indole-2-carboxylate |
| InChI Key | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
3-Nitrobenzamide, 98%
CAS: 645-09-0 Molecular Formula: C7H6N2O3 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00007984 InChI Key: KWAYEPXDGHYGRW-UHFFFAOYSA-N Synonym: m-nitrobenzamide,benzamide, 3-nitro,benzamide, m-nitro,3-nitro-benzamide,3-nitrophenylcarboxamide,acmc-209nmr,3-nitrobenzamide,dsstox_cid_5732,dsstox_rid_77897,dsstox_gsid_25732 PubChem CID: 12576 IUPAC Name: 3-nitrobenzamide SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N
| PubChem CID | 12576 |
|---|---|
| CAS | 645-09-0 |
| Molecular Weight (g/mol) | 166.14 |
| MDL Number | MFCD00007984 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N |
| Synonym | m-nitrobenzamide,benzamide, 3-nitro,benzamide, m-nitro,3-nitro-benzamide,3-nitrophenylcarboxamide,acmc-209nmr,3-nitrobenzamide,dsstox_cid_5732,dsstox_rid_77897,dsstox_gsid_25732 |
| IUPAC Name | 3-nitrobenzamide |
| InChI Key | KWAYEPXDGHYGRW-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O3 |