Basic information
- CAS
35856-79-2- Standard SMILES
O=C(Oc1ccccc1)C12CC3CC(CC(C3)C1)C2- InChIKey
NYEFYOIDZWYVAM-UHFFFAOYSA-N- Molecular formula
- C17H20O2
- Average molar mass
- 256.34 g/mol
- Monoisotopic mass
- 256.14632988
Names & identifiers
- Preferred name
- 3-Adamantanecarboxylic acid, phenyl ester
- IUPAC
- phenyl adamantane-1-carboxylate
Names & synonyms
Phenyl 3-adamantanecarboxylate3-ADAMANTANECARBOXYLIC ACID, PHENYL ESTER35856-79-2BRN 1885056DTXSID001894051-Adamantanecarboxylic acid, phenyl esterRefChem:276260DTXCID90111896NYEFYOIDZWYVAM-UHFFFAOYSA-Nphenyl adamantane-1-carboxylate3-ADAMANTANECARBOXYLIC ACID PHENYL ESTERphenyl adamantanecarboxylate
Show more names
SCHEMBL1634159SCHEMBL1634162SCHEMBL11473992Phenyl 1-adamantanecarboxylate #
Database identifiers
- CAS
35856-79-2- PubChem CID
- 37281
- DTXSID
DTXSID00189405- Nikkaji
- J73.392J
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…