Carboxylic acids and derivatives
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Isobutyl acetate, 98%
CAS: 110-19-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008932 InChI Key: GJRQTCIYDGXPES-UHFFFAOYSA-N Synonym: isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate PubChem CID: 8038 ChEBI: CHEBI:50569 IUPAC Name: 2-methylpropyl acetate SMILES: CC(C)COC(C)=O
| PubChem CID | 8038 |
|---|---|
| CAS | 110-19-0 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:50569 |
| MDL Number | MFCD00008932 |
| SMILES | CC(C)COC(C)=O |
| Synonym | isobutyl acetate,isobutyl ethanoate,acetic acid, 2-methylpropyl ester,2-methyl-1-propyl acetate,2-methylpropyl ethanoate,acetic acid, isobutyl ester,acetic acid isobutyl ester,acetate d'isobutyle,iso-butyl acetate,beta-methylpropyl ethanoate |
| IUPAC Name | 2-methylpropyl acetate |
| InChI Key | GJRQTCIYDGXPES-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-(Tritylthio)propionic acid, 97%
CAS: 27144-18-9 Molecular Formula: C22H20O2S Molecular Weight (g/mol): 348.46 MDL Number: MFCD00237291 InChI Key: AECGEIVNZGQBJT-UHFFFAOYSA-N Synonym: 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid PubChem CID: 262767 IUPAC Name: 3-tritylsulfanylpropanoic acid SMILES: OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 262767 |
|---|---|
| CAS | 27144-18-9 |
| Molecular Weight (g/mol) | 348.46 |
| MDL Number | MFCD00237291 |
| SMILES | OC(=O)CCSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 3-tritylthio propanoic acid,s-trityl-3-mercaptopropionic acid,3-tritylthio propionic acid,3-tritylsulfanylpropionic acid,3-triphenylmethyl sulfanyl propanoic acid,3-tritylsulfanyl-propionic acid,3-tritylmercapto propionic acid,s-trityl-beta-mercaptopropionic acid,propanoic acid, 3-triphenylmethyl thio,3-tritylsulfanyl propanoic acid |
| IUPAC Name | 3-tritylsulfanylpropanoic acid |
| InChI Key | AECGEIVNZGQBJT-UHFFFAOYSA-N |
| Molecular Formula | C22H20O2S |
Niacinamide, FCC, 98.5-101%, Spectrum™ Chemical
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CAS: 98-92-0 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.13 InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N IUPAC Name: pyridine-3-carboxamide SMILES: NC(=O)C1=CC=CN=C1
| CAS | 98-92-0 |
|---|---|
| Molecular Weight (g/mol) | 122.13 |
| SMILES | NC(=O)C1=CC=CN=C1 |
| IUPAC Name | pyridine-3-carboxamide |
| InChI Key | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
Methyl 2-methylbutyrate, 98%
CAS: 868-57-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009335 InChI Key: OCWLYWIFNDCWRZ-UHFFFAOYNA-N Synonym: methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate PubChem CID: 13357 IUPAC Name: methyl 2-methylbutanoate SMILES: CCC(C)C(=O)OC
| PubChem CID | 13357 |
|---|---|
| CAS | 868-57-5 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009335 |
| SMILES | CCC(C)C(=O)OC |
| Synonym | methyl 2-methylbutyrate,butanoic acid, 2-methyl-, methyl ester,methyl 2-methyl butyrate,methyl s-2-methylbutanoate,2-methylbutyric acid methyl ester,butyric acid, 2-methyl-, methyl ester,dl-2-methylbutyric acid methyl ester,methyl dl-2-methylbutyrate,methyl alpha-methylbutyrate,methyl alpha-methylbutanoate |
| IUPAC Name | methyl 2-methylbutanoate |
| InChI Key | OCWLYWIFNDCWRZ-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
Methyl trans-2-pentenoate, 95%
CAS: 15790-88-2 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00137611 InChI Key: MBAHGFJTIVZLFB-SNAWJCMRSA-N Synonym: methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate PubChem CID: 5364718 SMILES: CC\C=C\C(=O)OC
| PubChem CID | 5364718 |
|---|---|
| CAS | 15790-88-2 |
| Molecular Weight (g/mol) | 114.14 |
| MDL Number | MFCD00137611 |
| SMILES | CC\C=C\C(=O)OC |
| Synonym | methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate |
| InChI Key | MBAHGFJTIVZLFB-SNAWJCMRSA-N |
| Molecular Formula | C6H10O2 |
N-Methylphthalimide, 98%
CAS: 550-44-7 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 InChI Key: ZXLYYQUMYFHCLQ-UHFFFAOYSA-N Synonym: n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u PubChem CID: 11074 IUPAC Name: 2-methylisoindole-1,3-dione SMILES: CN1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11074 |
|---|---|
| CAS | 550-44-7 |
| Molecular Weight (g/mol) | 161.16 |
| SMILES | CN1C(=O)C2=CC=CC=C2C1=O |
| Synonym | n-methylphthalimide,2-methylisoindoline-1,3-dione,phthalimide, n-methyl,1h-isoindole-1,3 2h-dione, 2-methyl,unii-647up45j2u,2-methyl-1h-isoindole-1,3 2h-dione,n-methyl phthalimide,dsstox_cid_7198,acmc-1b11u |
| IUPAC Name | 2-methylisoindole-1,3-dione |
| InChI Key | ZXLYYQUMYFHCLQ-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
5-Amino-1-methyl-1H-pyrazole-4-carboxamide, Thermo Scientific™
CAS: 18213-75-7 Molecular Formula: C5H8N4O Molecular Weight (g/mol): 140.146 MDL Number: MFCD00111808 InChI Key: JGSQVTVXGXOSCH-UHFFFAOYSA-N PubChem CID: 265696 IUPAC Name: 5-amino-1-methylpyrazole-4-carboxamide SMILES: CN1C(=C(C=N1)C(=O)N)N
| PubChem CID | 265696 |
|---|---|
| CAS | 18213-75-7 |
| Molecular Weight (g/mol) | 140.146 |
| MDL Number | MFCD00111808 |
| SMILES | CN1C(=C(C=N1)C(=O)N)N |
| IUPAC Name | 5-amino-1-methylpyrazole-4-carboxamide |
| InChI Key | JGSQVTVXGXOSCH-UHFFFAOYSA-N |
| Molecular Formula | C5H8N4O |
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 |
3-Cyclopentylpropionic acid, 98%
CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1
| PubChem CID | 8818 |
|---|---|
| CAS | 140-77-2 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:50899 |
| MDL Number | MFCD00001392 |
| SMILES | OC(=O)CCC1CCCC1 |
| Synonym | 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate |
| IUPAC Name | 3-cyclopentylpropanoic acid |
| InChI Key | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methyl 6-methoxyindole-2-carboxylate, 97%
CAS: 98081-83-5 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00134301 InChI Key: OPUUCOLVBDQWEY-UHFFFAOYSA-N Synonym: methyl 6-methoxy-2-indolecarboxylate,6-methoxy-1h-indole-2-carboxylic acid methyl ester,methyl-6-methoxy-2-indolecarboxylate,methyl 6-methoxy-indole-2-carboxylate,6-methoxyindole-2-carboxylic acid methyl ester,methyl 6-methoxyindole-2-carboxylate,1h-indole-2-carboxylic acid, 6-methoxy-, methyl ester,methyl 6-methoxy-2-indolecarboxylat,pubchem7251,6-methoxy-2-indolecarboxylate PubChem CID: 688173 IUPAC Name: methyl 6-methoxy-1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=C(OC)C=C2N1
| PubChem CID | 688173 |
|---|---|
| CAS | 98081-83-5 |
| Molecular Weight (g/mol) | 205.21 |
| MDL Number | MFCD00134301 |
| SMILES | COC(=O)C1=CC2=CC=C(OC)C=C2N1 |
| Synonym | methyl 6-methoxy-2-indolecarboxylate,6-methoxy-1h-indole-2-carboxylic acid methyl ester,methyl-6-methoxy-2-indolecarboxylate,methyl 6-methoxy-indole-2-carboxylate,6-methoxyindole-2-carboxylic acid methyl ester,methyl 6-methoxyindole-2-carboxylate,1h-indole-2-carboxylic acid, 6-methoxy-, methyl ester,methyl 6-methoxy-2-indolecarboxylat,pubchem7251,6-methoxy-2-indolecarboxylate |
| IUPAC Name | methyl 6-methoxy-1H-indole-2-carboxylate |
| InChI Key | OPUUCOLVBDQWEY-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
DL - Lactic Acid Lithium Salt, MP Biomedicals™
CAS: 867-55-0 Molecular Formula: C3H5LiO3 Molecular Weight (g/mol): 96.01 InChI Key: GKQWYZBANWAFMQ-UHFFFAOYNA-M IUPAC Name: lithium(1+) 2-hydroxypropanoate SMILES: [Li+].CC(O)C([O-])=O
| CAS | 867-55-0 |
|---|---|
| Molecular Weight (g/mol) | 96.01 |
| SMILES | [Li+].CC(O)C([O-])=O |
| IUPAC Name | lithium(1+) 2-hydroxypropanoate |
| InChI Key | GKQWYZBANWAFMQ-UHFFFAOYNA-M |
| Molecular Formula | C3H5LiO3 |
Ethyl oxamate, 99%
CAS: 617-36-7 MDL Number: MFCD00008005 InChI Key: RZMZBHSKPLVQCP-UHFFFAOYSA-N Synonym: ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide PubChem CID: 69238 IUPAC Name: ethyl 2-amino-2-oxoacetate SMILES: CCOC(=O)C(=O)N
| PubChem CID | 69238 |
|---|---|
| CAS | 617-36-7 |
| MDL Number | MFCD00008005 |
| SMILES | CCOC(=O)C(=O)N |
| Synonym | ethyl oxamate,ethyl carbamoylformate,oxamic acid ethyl ester,ethyl amino oxo acetate,oxamethane,acetic acid, aminooxo-, ethyl ester,ethoxalamide,oxamidic acid ethyl ester,ethoxy carbonyl formamide,oxalic acid, monoethyl ester amide |
| IUPAC Name | ethyl 2-amino-2-oxoacetate |
| InChI Key | RZMZBHSKPLVQCP-UHFFFAOYSA-N |
2-chloro-N-(2,6-dimethylphenyl)acetamide, 98%
CAS: 1131-01-7 Molecular Formula: C10H12ClNO Molecular Weight (g/mol): 197.66 InChI Key: FPQQSNUTBWFFLB-UHFFFAOYSA-N Synonym: 2-chloro-n-2,6-dimethylphenyl acetamide,2-chloro-2',6'-dimethylacetanilide,n-chloroacetyl-2,6-dimethylaniline,2-chloro-2',6'-acetoxylidide,chloroaceto-2,6-xylidide,acetamide, 2-chloro-n-2,6-dimethylphenyl,chloroacetamido-2,6-xylidine,1-chloroacetylamino-2,6-dimethylbenzene,n-2,6-dimethylphenyl-2-chloroacetamide,unii-5d2b69oapx PubChem CID: 70798 IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)acetamide SMILES: CC1=C(C(=CC=C1)C)NC(=O)CCl
| PubChem CID | 70798 |
|---|---|
| CAS | 1131-01-7 |
| Molecular Weight (g/mol) | 197.66 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CCl |
| Synonym | 2-chloro-n-2,6-dimethylphenyl acetamide,2-chloro-2',6'-dimethylacetanilide,n-chloroacetyl-2,6-dimethylaniline,2-chloro-2',6'-acetoxylidide,chloroaceto-2,6-xylidide,acetamide, 2-chloro-n-2,6-dimethylphenyl,chloroacetamido-2,6-xylidine,1-chloroacetylamino-2,6-dimethylbenzene,n-2,6-dimethylphenyl-2-chloroacetamide,unii-5d2b69oapx |
| IUPAC Name | 2-chloro-N-(2,6-dimethylphenyl)acetamide |
| InChI Key | FPQQSNUTBWFFLB-UHFFFAOYSA-N |
| Molecular Formula | C10H12ClNO |
Triethyl 1,1,2-ethanetricarboxylate, 99%
CAS: 7459-46-3 MDL Number: MFCD00009154 InChI Key: TVWZLLYAJDSSCJ-UHFFFAOYSA-N Synonym: triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd PubChem CID: 81961 IUPAC Name: triethyl ethane-1,1,2-tricarboxylate SMILES: CCOC(=O)CC(C(=O)OCC)C(=O)OCC
| PubChem CID | 81961 |
|---|---|
| CAS | 7459-46-3 |
| MDL Number | MFCD00009154 |
| SMILES | CCOC(=O)CC(C(=O)OCC)C(=O)OCC |
| Synonym | triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd |
| IUPAC Name | triethyl ethane-1,1,2-tricarboxylate |
| InChI Key | TVWZLLYAJDSSCJ-UHFFFAOYSA-N |
Strontium oxalate, 95%, Thermo Scientific Chemicals
CAS: 814-95-9 Molecular Formula: C2O4Sr Molecular Weight (g/mol): 175.638 MDL Number: MFCD00050803 InChI Key: KQAGKTURZUKUCH-UHFFFAOYSA-L Synonym: strontium oxalate,unii-7iaw7e69ni,7iaw7e69ni,strontium oxalate, src2o4,ethanedioic acid, strontium salt 1:1,oxalic acid, monostrontium salt,strontium 2+ ion oxalate,oxalic acid, strontium salt 1:1 8ci PubChem CID: 69947 IUPAC Name: strontium;oxalate SMILES: C(=O)(C(=O)[O-])[O-].[Sr+2]
| PubChem CID | 69947 |
|---|---|
| CAS | 814-95-9 |
| Molecular Weight (g/mol) | 175.638 |
| MDL Number | MFCD00050803 |
| SMILES | C(=O)(C(=O)[O-])[O-].[Sr+2] |
| Synonym | strontium oxalate,unii-7iaw7e69ni,7iaw7e69ni,strontium oxalate, src2o4,ethanedioic acid, strontium salt 1:1,oxalic acid, monostrontium salt,strontium 2+ ion oxalate,oxalic acid, strontium salt 1:1 8ci |
| IUPAC Name | strontium;oxalate |
| InChI Key | KQAGKTURZUKUCH-UHFFFAOYSA-L |
| Molecular Formula | C2O4Sr |