Basic information
- CAS
89667-39-0- Standard SMILES
O=C(O)CCCCC=C(c1ccccc1)c1cccnc1- InChIKey
UWPBQLKEHGGKKD-UHFFFAOYSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.14157885
Names & identifiers
- Preferred name
- 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (Z)-
- IUPAC
- 7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Names & synonyms
6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-, (Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid7-PHENYL-7-(PYRIDIN-3-YL)HEPT-6-ENOIC ACIDSCHEMBL4061DTXSID80275693PDA66740CV 4388DB-057154
Database identifiers
- CAS
89667-39-0- PubChem CID
- 65675
- DTXSID
DTXSID80275693
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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