Basic information
- CAS
7496-06-2- Standard SMILES
COC(=O)C(C)c1cccc2ccc3ccccc3c12- InChIKey
ZMSZCHDEBWMBEV-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- Methyl 2-phenanthren-4-ylpropanoate
- IUPAC
- methyl 2-phenanthren-4-ylpropanoate
Names & synonyms
7496-06-2methyl 2-phenanthren-4-ylpropanoateNSC407614DTXSID80324731Methyl 2-(phenanthren-4-yl)propanoateNSC-407614
Database identifiers
- CAS
7496-06-2- PubChem CID
- 348346
- DTXSID
DTXSID80324731
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…