Organic acids and derivatives
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4'-Bromo-2'-chloroacetanilide, 98+%
CAS: 3460-23-9 Molecular Formula: C8H7BrClNO Molecular Weight (g/mol): 248.504 MDL Number: MFCD00040852 InChI Key: MITWNEIUIPGZKR-UHFFFAOYSA-N Synonym: 4'-bromo-2'-chloroacetanilide,n-4-bromo-2-chlorophenyl acetamide,4-bromo-2-chloroacetanilide,acetamide, n-4-bromo-2-chlorophenyl,maybridge3_007422,2-chlor-4-bromacetanilid,acmc-209i8u,buttpark 83\07-60,acetanilide, 4'-bromo-2'-chloro PubChem CID: 610167 IUPAC Name: N-(4-bromo-2-chlorophenyl)acetamide SMILES: CC(=O)NC1=C(C=C(C=C1)Br)Cl
| PubChem CID | 610167 |
|---|---|
| CAS | 3460-23-9 |
| Molecular Weight (g/mol) | 248.504 |
| MDL Number | MFCD00040852 |
| SMILES | CC(=O)NC1=C(C=C(C=C1)Br)Cl |
| Synonym | 4'-bromo-2'-chloroacetanilide,n-4-bromo-2-chlorophenyl acetamide,4-bromo-2-chloroacetanilide,acetamide, n-4-bromo-2-chlorophenyl,maybridge3_007422,2-chlor-4-bromacetanilid,acmc-209i8u,buttpark 83\07-60,acetanilide, 4'-bromo-2'-chloro |
| IUPAC Name | N-(4-bromo-2-chlorophenyl)acetamide |
| InChI Key | MITWNEIUIPGZKR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrClNO |
Ethyl phenylpropiolate, 98+%
CAS: 2216-94-6 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 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 |
|---|---|
| CAS | 2216-94-6 |
| Molecular Weight (g/mol) | 174.199 |
| 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 |
Sodium Benzoate, Powder, FCC, 99-101%, Spectrum™ Chemical
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CAS: 532-32-1 Molecular Formula: C7H5NaO2 Molecular Weight (g/mol): 144.11 MDL Number: MFCD00012463 InChI Key: WXMKPNITSTVMEF-UHFFFAOYSA-M IUPAC Name: sodium benzoate SMILES: [Na+].[O-]C(=O)C1=CC=CC=C1
| CAS | 532-32-1 |
|---|---|
| Molecular Weight (g/mol) | 144.11 |
| MDL Number | MFCD00012463 |
| SMILES | [Na+].[O-]C(=O)C1=CC=CC=C1 |
| IUPAC Name | sodium benzoate |
| InChI Key | WXMKPNITSTVMEF-UHFFFAOYSA-M |
| Molecular Formula | C7H5NaO2 |
Propionic Acid, FCC, 99.5-100.5%, Spectrum™ Chemical
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CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N IUPAC Name: propanoic acid SMILES: CCC(O)=O
| CAS | 79-09-4 |
|---|---|
| Molecular Weight (g/mol) | 74.08 |
| SMILES | CCC(O)=O |
| IUPAC Name | propanoic acid |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
| CAS | 3-4-4342 |
|---|---|
| MDL Number | MFCD00057167 |
1-Cyclohexene-1-carboxylic acid, 97%
CAS: 636-82-8 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00001545 InChI Key: NMEZJSDUZQOPFE-UHFFFAOYSA-N Synonym: 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid PubChem CID: 69470 ChEBI: CHEBI:29565 IUPAC Name: cyclohexene-1-carboxylic acid SMILES: C1CCC(=CC1)C(=O)O
| PubChem CID | 69470 |
|---|---|
| CAS | 636-82-8 |
| Molecular Weight (g/mol) | 126.155 |
| ChEBI | CHEBI:29565 |
| MDL Number | MFCD00001545 |
| SMILES | C1CCC(=CC1)C(=O)O |
| Synonym | 1-cyclohexene-1-carboxylic acid,1-cyclohexenecarboxylic acid,cyclohex-1-enecarboxylic acid,cyclohexenecarboxylic acid,cyclohex-1-ene-1-carboxylic acid,1-cyclohexenecarboxylicacid,cyclohexenyl carboxylic acid,1-cyclohexene carboxylic acid,acmc-1b731,3,4,5,6-tetrahydrobenzoic acid |
| IUPAC Name | cyclohexene-1-carboxylic acid |
| InChI Key | NMEZJSDUZQOPFE-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Methyl 3,3-dimethylacrylate, 98%
CAS: 924-50-5 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00043940 InChI Key: FZIBCCGGICGWBP-UHFFFAOYSA-N Synonym: methyl 3-methyl-2-butenoate,methyl 3,3-dimethylacrylate,2-butenoic acid, 3-methyl-, methyl ester,3-methyl-but-2-enoic acid methyl ester,methyl senecioate,3,3-dimethylacrylic acid methyl ester,methyl-3,3-dimethylacrylate,crotonic acid, 3-methyl-, methyl ester,methyl-3,3-dimethyl acrylate,methylsenecioate PubChem CID: 13546 IUPAC Name: methyl 3-methylbut-2-enoate SMILES: CC(=CC(=O)OC)C
| PubChem CID | 13546 |
|---|---|
| CAS | 924-50-5 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00043940 |
| SMILES | CC(=CC(=O)OC)C |
| Synonym | methyl 3-methyl-2-butenoate,methyl 3,3-dimethylacrylate,2-butenoic acid, 3-methyl-, methyl ester,3-methyl-but-2-enoic acid methyl ester,methyl senecioate,3,3-dimethylacrylic acid methyl ester,methyl-3,3-dimethylacrylate,crotonic acid, 3-methyl-, methyl ester,methyl-3,3-dimethyl acrylate,methylsenecioate |
| IUPAC Name | methyl 3-methylbut-2-enoate |
| InChI Key | FZIBCCGGICGWBP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
Methyl chloroacetate, 98%
CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl
| PubChem CID | 7295 |
|---|---|
| CAS | 96-34-4 |
| Molecular Weight (g/mol) | 108.52 |
| MDL Number | MFCD00000931 |
| SMILES | COC(=O)CCl |
| Synonym | methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 |
| IUPAC Name | methyl 2-chloroacetate |
| InChI Key | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO2 |
Cycloheptanecarboxylic acid, 95%
CAS: 1460-16-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00004152 InChI Key: VZFUCHSFHOYXIS-UHFFFAOYSA-N Synonym: cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid PubChem CID: 15091 ChEBI: CHEBI:29564 IUPAC Name: cycloheptanecarboxylic acid SMILES: OC(=O)C1CCCCCC1
| PubChem CID | 15091 |
|---|---|
| CAS | 1460-16-8 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:29564 |
| MDL Number | MFCD00004152 |
| SMILES | OC(=O)C1CCCCCC1 |
| Synonym | cycloheptane carboxylic acid,cycloheptanoic acid,cycloheptanecarboxylicacid,cyclohepatan carboxylic acid,acmc-1c1rc,sampl4, o9,vzfuchsfhoyxis-uhfffaoysa,cycloheptanecarboxylic acid |
| IUPAC Name | cycloheptanecarboxylic acid |
| InChI Key | VZFUCHSFHOYXIS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
2-(2-Cyanophenoxy)acetamide, 98%
CAS: 54802-12-9 Molecular Formula: C9H8N2O2 Molecular Weight (g/mol): 176.175 MDL Number: MFCD00297091 InChI Key: RYOYNMJXEHNYAG-UHFFFAOYSA-N Synonym: 2-2-cyanophenoxy acetamide,acetamide, 2-2-cyanophenoxy,2-cyanophenoxyacetamide PubChem CID: 12353988 IUPAC Name: 2-(2-cyanophenoxy)acetamide SMILES: C1=CC=C(C(=C1)C#N)OCC(=O)N
| PubChem CID | 12353988 |
|---|---|
| CAS | 54802-12-9 |
| Molecular Weight (g/mol) | 176.175 |
| MDL Number | MFCD00297091 |
| SMILES | C1=CC=C(C(=C1)C#N)OCC(=O)N |
| Synonym | 2-2-cyanophenoxy acetamide,acetamide, 2-2-cyanophenoxy,2-cyanophenoxyacetamide |
| IUPAC Name | 2-(2-cyanophenoxy)acetamide |
| InChI Key | RYOYNMJXEHNYAG-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2O2 |
Phenyl phosphate, disodium salt dihydrate, 98%
CAS: 66778-08-3 Molecular Formula: C6H5Na2O4P·2H2O Molecular Weight (g/mol): 254.09 MDL Number: MFCD00149080 InChI Key: UMRLIPYPVZYYFT-UHFFFAOYSA-N Synonym: sodiumphenylphosphatedibasicdihydrate PubChem CID: 131883070 IUPAC Name: phenyl dihydrogen phosphate;sodium;dihydrate SMILES: C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na]
| PubChem CID | 131883070 |
|---|---|
| CAS | 66778-08-3 |
| Molecular Weight (g/mol) | 254.09 |
| MDL Number | MFCD00149080 |
| SMILES | C1=CC=C(C=C1)OP(=O)(O)O.O.O.[Na].[Na] |
| Synonym | sodiumphenylphosphatedibasicdihydrate |
| IUPAC Name | phenyl dihydrogen phosphate;sodium;dihydrate |
| InChI Key | UMRLIPYPVZYYFT-UHFFFAOYSA-N |
| Molecular Formula | C6H5Na2O4P·2H2O |
Methyl 1-hydroxy-1-cyclopropane carboxylate, 90%
CAS: 33689-29-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD02093884 InChI Key: KPJWVJURYXOHOO-UHFFFAOYSA-N Synonym: methyl 1-hydroxycyclopropanecarboxylate,methyl 1-hydroxy-1-cyclopropane carboxylate,methyl 1-hydroxy-1-cyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid methyl ester,1-hydroxy-cyclopropanecarboxylic acid methyl ester,methyl-1-hydroxy-1-cyclopropane carboxylate,hydroxy-cyclopropanecarboxylic acid methyl ester,1-hydroxy-cyclopropane-1-carboxylic acid methyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, methyl ester PubChem CID: 2733178 IUPAC Name: methyl 1-hydroxycyclopropane-1-carboxylate SMILES: COC(=O)C1(O)CC1
| PubChem CID | 2733178 |
|---|---|
| CAS | 33689-29-1 |
| Molecular Weight (g/mol) | 116.12 |
| MDL Number | MFCD02093884 |
| SMILES | COC(=O)C1(O)CC1 |
| Synonym | methyl 1-hydroxycyclopropanecarboxylate,methyl 1-hydroxy-1-cyclopropane carboxylate,methyl 1-hydroxy-1-cyclopropanecarboxylate,1-hydroxycyclopropanecarboxylic acid methyl ester,1-hydroxy-cyclopropanecarboxylic acid methyl ester,methyl-1-hydroxy-1-cyclopropane carboxylate,hydroxy-cyclopropanecarboxylic acid methyl ester,1-hydroxy-cyclopropane-1-carboxylic acid methyl ester,cyclopropanecarboxylic acid, 1-hydroxy-, methyl ester |
| IUPAC Name | methyl 1-hydroxycyclopropane-1-carboxylate |
| InChI Key | KPJWVJURYXOHOO-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
3-Methylvaleric acid, 99%
CAS: 105-43-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002729,MFCD02262177 InChI Key: IGIDLTISMCAULB-UHFFFAOYNA-N Synonym: 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid PubChem CID: 7755 IUPAC Name: 3-methylpentanoic acid SMILES: CCC(C)CC(O)=O
| PubChem CID | 7755 |
|---|---|
| CAS | 105-43-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002729,MFCD02262177 |
| SMILES | CCC(C)CC(O)=O |
| Synonym | 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid |
| IUPAC Name | 3-methylpentanoic acid |
| InChI Key | IGIDLTISMCAULB-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
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 |
Methyl 4-aminobenzoate, 98%
CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N
| PubChem CID | 12082 |
|---|---|
| CAS | 619-45-4 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007891 |
| SMILES | COC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester |
| IUPAC Name | methyl 4-aminobenzoate |
| InChI Key | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |