1H-Imidazole-4-acetic acid, 5-hydroxy-2-(2-methylphenyl)-alpha-oxo-, methyl ester
Basic information
- CAS
40312-26-3- Standard SMILES
COC(=O)C(=O)c1[nH]c(-c2ccccc2C)nc1O- InChIKey
IGHAVWHVXIYWSG-UHFFFAOYSA-N- Molecular formula
- C13H12N2O4
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.07970687
Names & identifiers
- Preferred name
- 1H-Imidazole-4-acetic acid, 5-hydroxy-2-(2-methylphenyl)-alpha-oxo-, methyl ester
- IUPAC
- methyl 2-[4-hydroxy-2-(2-methylphenyl)-1H-imidazol-5-yl]-2-oxoacetate
Names & synonyms
BRN 092557940312-26-3Methyl 5-hydroxy-2-(2-methylphenyl)-alpha-oxo-1H-imidazole-4-acetate1H-Imidazole-4-acetic acid, 5-hydroxy-2-(2-methylphenyl)-alpha-oxo-, methyl esterRefChem:238225DTXSID50960746Methyl [5-hydroxy-2-(2-methylphenyl)-1H-imidazol-4-yl](oxo)acetate
Database identifiers
- CAS
40312-26-3- PubChem CID
- 218192
- DTXSID
DTXSID50960746
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
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Compound notes
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