Basic information
- CAS
82408-29-5- Standard SMILES
O=C(Oc1ccccc1)c1ccc2ccccc2c1- InChIKey
XBDNVPPAQQNVBW-UHFFFAOYSA-N- Molecular formula
- C17H12O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.08372962
Names & identifiers
- Preferred name
- Phenyl naphthalene-2-carboxylate
- IUPAC
- phenyl naphthalene-2-carboxylate
Names & synonyms
Phenyl naphthalene-2-carboxylate82408-29-5DTXSID10509574RefChem:369709DTXCID40460381phenyl 2-naphthoateSCHEMBL418527SCHEMBL8748193AKOS001172554
Database identifiers
- CAS
82408-29-5- PubChem CID
- 12776830
- DTXSID
DTXSID10509574- Nikkaji
- J415.979I
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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