Basic information
- CAS
339-98-0- Standard SMILES
CCOC(=O)C1(c2ccccc2)C2C=CC=CC21- InChIKey
SZHMIFJETAFZRP-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- Ethyl 7-phenylnoracadiene-7-carboxylate
- IUPAC
- ethyl 7-phenylbicyclo[4.1.0]hepta-2,4-diene-7-carboxylate
Names & synonyms
Ethyl 7-phenylnoracadiene-7-carboxylate339-98-0RefChem:344669ethyl 7-phenylbicyclo[4.1.0]hepta-2,4-diene-7-carboxylateDTXSID30955493
Database identifiers
- CAS
339-98-0- PubChem CID
- 136170
- DTXSID
DTXSID30955493
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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