Basic information
- Standard SMILES
N#Cc1cc(=O)c2ccc(O)cc2o1- InChIKey
MHNLLYLUGNAHBN-UHFFFAOYSA-N- Molecular formula
- C10H5NO3
- Average molar mass
- 187.15 g/mol
- Monoisotopic mass
- 187.02694302
Names & identifiers
- Preferred name
- 2-cyano-7-hydroxy-4-oxo-4H-1-benzopyran
- IUPAC
- 7-hydroxy-4-oxochromene-2-carbonitrile
Names & synonyms
SCHEMBL6961168MHNLLYLUGNAHBN-UHFFFAOYSA-N2-cyano-7-hydroxy-4-oxo-4H-1-benzopyran2-cyano-7- hydroxy-4-oxo-4H-1-benzopyran
Database identifiers
- PubChem CID
- 9989995
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 339
Related reactions
5 records
Compound notes
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