Basic information
- Standard SMILES
O=C(O)CCCCC=Cc1ccccn1- InChIKey
KRVCPNOSTYYHFT-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
Names & identifiers
- Preferred name
- 7-(2-Pyridyl)-6-heptenoic acid
- IUPAC
- 7-pyridin-2-ylhept-6-enoic acid
Names & synonyms
SCHEMBL2958978KRVCPNOSTYYHFT-UHFFFAOYSA-N7-(2-Pyridyl)-6-heptenoic acid
Database identifiers
- PubChem CID
- 68457367
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Related reactions
6 records
Compound notes
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