Basic information
- Standard SMILES
O=Cc1ccc(C=CC(=O)O)nc1- InChIKey
VBUMHIBHPKVYAK-UHFFFAOYSA-N- Molecular formula
- C9H7NO3
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.04259309
Names & identifiers
- Preferred name
- 3-(5-Formyl-2-pyridinyl)prop-2-enoic acid
- IUPAC
- 3-(5-formyl-2-pyridinyl)prop-2-enoic acid
Names & synonyms
SCHEMBL1481960
Database identifiers
- PubChem CID
- 91086267
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
3 records
Compound notes
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