
Carboxylic acids and derivatives















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1,2,4-Benzenetricarboxylic acid, 98%
CAS: 528-44-9 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002470 InChI Key: ARCGXLSVLAOJQL-UHFFFAOYSA-N Synonym: 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 PubChem CID: 10708 ChEBI: CHEBI:166055 IUPAC Name: benzene-1,2,4-tricarboxylic acid SMILES: OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
PubChem CID | 10708 |
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CAS | 528-44-9 |
Molecular Weight (g/mol) | 210.14 |
ChEBI | CHEBI:166055 |
MDL Number | MFCD00002470 |
SMILES | OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O |
Synonym | 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 |
IUPAC Name | benzene-1,2,4-tricarboxylic acid |
InChI Key | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
Molecular Formula | C9H6O6 |
Phthalamide, 97%
CAS: 88-96-0 Molecular Formula: C8H8N2O2 Molecular Weight (g/mol): 164.164 MDL Number: MFCD00025478 InChI Key: NAYYNDKKHOIIOD-UHFFFAOYSA-N Synonym: phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs PubChem CID: 6956 ChEBI: CHEBI:38799 IUPAC Name: benzene-1,2-dicarboxamide SMILES: C1=CC=C(C(=C1)C(=O)N)C(=O)N
PubChem CID | 6956 |
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CAS | 88-96-0 |
Molecular Weight (g/mol) | 164.164 |
ChEBI | CHEBI:38799 |
MDL Number | MFCD00025478 |
SMILES | C1=CC=C(C(=C1)C(=O)N)C(=O)N |
Synonym | phthalamide,1,2-benzenedicarboxamide,phthaldiamide,phthalic acid diamide,o-carbamoylbenzamide,o-phthalic acid diamide,o-phthalamide,phthalic diamide,ccris 518,unii-7b96053wrs |
IUPAC Name | benzene-1,2-dicarboxamide |
InChI Key | NAYYNDKKHOIIOD-UHFFFAOYSA-N |
Molecular Formula | C8H8N2O2 |
Ethyl indole-3-acrylate, 97%
CAS: 15181-86-9 Molecular Formula: C13H13NO2 Molecular Weight (g/mol): 215.252 MDL Number: MFCD00051947 InChI Key: OQJSITNIWIYWPU-FPLPWBNLSA-N Synonym: ethyl 2z-3-1h-indol-3-yl prop-2-enoate PubChem CID: 13863197 IUPAC Name: ethyl (Z)-3-(1H-indol-3-yl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CNC2=CC=CC=C21
PubChem CID | 13863197 |
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CAS | 15181-86-9 |
Molecular Weight (g/mol) | 215.252 |
MDL Number | MFCD00051947 |
SMILES | CCOC(=O)C=CC1=CNC2=CC=CC=C21 |
Synonym | ethyl 2z-3-1h-indol-3-yl prop-2-enoate |
IUPAC Name | ethyl (Z)-3-(1H-indol-3-yl)prop-2-enoate |
InChI Key | OQJSITNIWIYWPU-FPLPWBNLSA-N |
Molecular Formula | C13H13NO2 |
N-tert-Butylacetamide, 98%
CAS: 762-84-5 Molecular Formula: C6H13NO Molecular Weight (g/mol): 115.176 MDL Number: MFCD00038244 InChI Key: ACYFWRHALJTSCF-UHFFFAOYSA-N Synonym: n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl PubChem CID: 12985 IUPAC Name: N-tert-butylacetamide SMILES: CC(=O)NC(C)(C)C
PubChem CID | 12985 |
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CAS | 762-84-5 |
Molecular Weight (g/mol) | 115.176 |
MDL Number | MFCD00038244 |
SMILES | CC(=O)NC(C)(C)C |
Synonym | n-tert-butyl acetamide,tert-butylacetamide,n-t-butylacetamide,acetamide, n-1,1-dimethylethyl,ch3c o nhc ch3 3,acetamide,n-1,1-dimethylethyl |
IUPAC Name | N-tert-butylacetamide |
InChI Key | ACYFWRHALJTSCF-UHFFFAOYSA-N |
Molecular Formula | C6H13NO |
Dimethyl 5-norbornene-2,3-dicarboxylate, 94%
CAS: 5826-73-3 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00154455 InChI Key: VGQLNJWOULYVFV-UHFFFAOYNA-N Synonym: dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester PubChem CID: 38295 IUPAC Name: dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate SMILES: COC(=O)C1C2CC(C=C2)C1C(=O)OC
PubChem CID | 38295 |
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CAS | 5826-73-3 |
Molecular Weight (g/mol) | 210.23 |
MDL Number | MFCD00154455 |
SMILES | COC(=O)C1C2CC(C=C2)C1C(=O)OC |
Synonym | dimethyl 5-norbornene-2,3-dicarboxylate,dimethyl bicyclo 2.2.1 hept-5-ene-2,3-dicarboxylate,dimethyl carbate,dimalone,nisy,compound 3,916,methyl 3-methoxycarbonyl bicyclo 2.2.1 hept-5-ene-2-carboxylate,acmc-1ah3y,norborn-5-ene-2endo,3endo-dicarboxylic acid dimethyl ester,5-norbornene-2, dimethyl ester |
IUPAC Name | dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate |
InChI Key | VGQLNJWOULYVFV-UHFFFAOYNA-N |
Molecular Formula | C11H14O4 |
Isovaleramide, 98%
CAS: 541-46-8 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.149 MDL Number: MFCD00014807 InChI Key: SANOUVWGPVYVAV-UHFFFAOYSA-N Synonym: isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide PubChem CID: 10930 IUPAC Name: 3-methylbutanamide SMILES: CC(C)CC(=O)N
PubChem CID | 10930 |
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CAS | 541-46-8 |
Molecular Weight (g/mol) | 101.149 |
MDL Number | MFCD00014807 |
SMILES | CC(C)CC(=O)N |
Synonym | isovaleramide,butanamide, 3-methyl,3-methylbutyramide,isovaleric amide,isopentanamide,beta-methylbutyramide,isovaleric acid amide,unii-9cp4kb634m,isovaleramide usan,.beta.-methylbutyramide |
IUPAC Name | 3-methylbutanamide |
InChI Key | SANOUVWGPVYVAV-UHFFFAOYSA-N |
Molecular Formula | C5H11NO |
2-Ethoxybenzamide, 97%
CAS: 938-73-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007977 InChI Key: SBNKFTQSBPKMBZ-UHFFFAOYSA-N Synonym: ethenzamide,benzamide, 2-ethoxy,o-ethoxybenzamide,ethbenzamide,etenzamide,ethenzamid,etamide,ethosalicyl,etosalicil,etosalicyl PubChem CID: 3282 IUPAC Name: 2-ethoxybenzamide SMILES: CCOC1=CC=CC=C1C(N)=O
PubChem CID | 3282 |
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CAS | 938-73-8 |
Molecular Weight (g/mol) | 165.19 |
MDL Number | MFCD00007977 |
SMILES | CCOC1=CC=CC=C1C(N)=O |
Synonym | ethenzamide,benzamide, 2-ethoxy,o-ethoxybenzamide,ethbenzamide,etenzamide,ethenzamid,etamide,ethosalicyl,etosalicil,etosalicyl |
IUPAC Name | 2-ethoxybenzamide |
InChI Key | SBNKFTQSBPKMBZ-UHFFFAOYSA-N |
Molecular Formula | C9H11NO2 |
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 |
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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 |
Ethyl phenylpropiolate, 98%
CAS: 2216-94-6 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.2 MDL Number: MFCD00009185 InChI Key: ACJOYTKWHPEIHW-UHFFFAOYSA-N Synonym: ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate PubChem CID: 91516 IUPAC Name: ethyl 3-phenylprop-2-ynoate SMILES: CCOC(=O)C#CC1=CC=CC=C1
PubChem CID | 91516 |
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CAS | 2216-94-6 |
Molecular Weight (g/mol) | 174.2 |
MDL Number | MFCD00009185 |
SMILES | CCOC(=O)C#CC1=CC=CC=C1 |
Synonym | ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate |
IUPAC Name | ethyl 3-phenylprop-2-ynoate |
InChI Key | ACJOYTKWHPEIHW-UHFFFAOYSA-N |
Molecular Formula | C11H10O2 |
4-Phenylbutyric acid, 99%
CAS: 1821-12-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O
PubChem CID | 4775 |
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CAS | 1821-12-1 |
Molecular Weight (g/mol) | 164.2 |
ChEBI | CHEBI:41500 |
SMILES | C1=CC=C(C=C1)CCCC(=O)O |
Synonym | 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid |
IUPAC Name | 4-phenylbutanoic acid |
InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
Molecular Formula | C10H12O2 |
DL-Mercaptosuccinic acid, 99%
CAS: 70-49-5 Molecular Formula: C4H6O4S Molecular Weight (g/mol): 150.15 InChI Key: NJRXVEJTAYWCQJ-UHFFFAOYSA-N Synonym: mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid PubChem CID: 6268 ChEBI: CHEBI:38705 IUPAC Name: 2-sulfanylbutanedioic acid SMILES: C(C(C(=O)O)S)C(=O)O
PubChem CID | 6268 |
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CAS | 70-49-5 |
Molecular Weight (g/mol) | 150.15 |
ChEBI | CHEBI:38705 |
SMILES | C(C(C(=O)O)S)C(=O)O |
Synonym | mercaptosuccinic acid,thiomalic acid,2-thiomalic acid,2-mercaptosuccinic acid,monomercaptosuccinic acid,butanedioic acid, mercapto,malic acid, 2-thio,mercaptosuccinate,2-sulfanylsuccinic acid,dl-mercaptosuccinic acid |
IUPAC Name | 2-sulfanylbutanedioic acid |
InChI Key | NJRXVEJTAYWCQJ-UHFFFAOYSA-N |
Molecular Formula | C4H6O4S |
N,N-Diethylnicotinamide, 97%
CAS: 59-26-7 Molecular Formula: C10H14N2O Molecular Weight (g/mol): 178.23 MDL Number: MFCD00006386 InChI Key: NCYVXEGFNDZQCU-UHFFFAOYSA-N Synonym: nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide PubChem CID: 5497 IUPAC Name: N,N-diethylpyridine-3-carboxamide SMILES: CCN(CC)C(=O)C1=CN=CC=C1
PubChem CID | 5497 |
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CAS | 59-26-7 |
Molecular Weight (g/mol) | 178.23 |
MDL Number | MFCD00006386 |
SMILES | CCN(CC)C(=O)C1=CN=CC=C1 |
Synonym | nikethamide,n,n-diethylnicotinamide,nicethamide,corvin,anacardone,anacordone,carbamidal,coramine,corvotone,nicamide |
IUPAC Name | N,N-diethylpyridine-3-carboxamide |
InChI Key | NCYVXEGFNDZQCU-UHFFFAOYSA-N |
Molecular Formula | C10H14N2O |
A-803467, 98%, Thermo Scientific Chemicals
CAS: 944261-79-4 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 MDL Number: MFCD10574689 InChI Key: VHKBTPQDHDSBSP-UHFFFAOYSA-N PubChem CID: 16038374 IUPAC Name: 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide SMILES: COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1
PubChem CID | 16038374 |
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CAS | 944261-79-4 |
Molecular Weight (g/mol) | 357.79 |
MDL Number | MFCD10574689 |
SMILES | COC1=CC(OC)=CC(NC(=O)C2=CC=C(O2)C2=CC=C(Cl)C=C2)=C1 |
IUPAC Name | 5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide |
InChI Key | VHKBTPQDHDSBSP-UHFFFAOYSA-N |
Molecular Formula | C19H16ClNO4 |
tert-Butyl cyanoacetate, 98%
CAS: 1116-98-9 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00001938 InChI Key: BFNYNEMRWHFIMR-UHFFFAOYSA-N Synonym: tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate PubChem CID: 70693 IUPAC Name: tert-butyl 2-cyanoacetate SMILES: CC(C)(C)OC(=O)CC#N
PubChem CID | 70693 |
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CAS | 1116-98-9 |
Molecular Weight (g/mol) | 141.17 |
MDL Number | MFCD00001938 |
SMILES | CC(C)(C)OC(=O)CC#N |
Synonym | tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate |
IUPAC Name | tert-butyl 2-cyanoacetate |
InChI Key | BFNYNEMRWHFIMR-UHFFFAOYSA-N |
Molecular Formula | C7H11NO2 |
CAS | 4664-01-1 |
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MDL Number | MFCD00013439 |