Basic information
- CAS
5328-28-9- Standard SMILES
COC(=O)CCc1cc2ccccc2c2ccccc12- InChIKey
FCYVMETYIVJITO-UHFFFAOYSA-N- Molecular formula
- C18H16O2
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.11502975
Names & identifiers
- Preferred name
- Methyl 3-phenanthren-9-ylpropanoate
- IUPAC
- methyl 3-phenanthren-9-ylpropanoate
Names & synonyms
methyl 3-phenanthren-9-ylpropanoate5328-28-9DTXSID90277360RefChem:355167DTXCID30228518methyl 3-(phenanthren-9-yl)propanoateNSC1925NSC-19259-PHENANTHRENEPROPIONIC ACID, METHYL ESTER
Database identifiers
- CAS
5328-28-9- PubChem CID
- 219964
- DTXSID
DTXSID90277360
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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