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Basic information
- Standard SMILES
COc1cc(C(=O)O)cc(-c2ccccc2)n1- InChIKey
BEIOKBBXZRBYHA-UHFFFAOYSA-N- Molecular formula
- C13H11NO3
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.07389321
Names & identifiers
- Preferred name
- 2-Methoxy-6-phenylisonicotinic acid
- IUPAC
- 2-methoxy-6-phenylpyridine-4-carboxylic acid
Names & synonyms
2-Methoxy-6-phenylisonicotinic acidSCHEMBL732334BEIOKBBXZRBYHA-UHFFFAOYSA-N2-methoxy-6-phenyl-isonicotinic acid2-methoxy-6-phenylpyridine-4-carboxylic acidA1-127220
Database identifiers
- PubChem CID
- 57930993
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
3 records
Compound notes
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