Basic information
- CAS
25526-84-5- Standard SMILES
COc1ccc2c(c1)CCC1CC(=O)C=C21- InChIKey
IOQLRMJQDGKAKT-UHFFFAOYSA-N- Molecular formula
- C14H14O2
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.09937969
Names & identifiers
- Preferred name
- 7-Methoxy-3,3a,4,5-tetrahydro-2h-cyclopenta[a]naphthalen-2-one
- IUPAC
- 7-methoxy-3,3a,4,5-tetrahydrocyclopenta[a]naphthalen-2-one
Names & synonyms
25526-84-5NSC 1528737-methoxy-3,3a,4,5-tetrahydro-2h-cyclopenta[a]naphthalen-2-oneNSC152873SCHEMBL11684922DTXSID10302709NSC-152873
Database identifiers
- CAS
25526-84-5- PubChem CID
- 290147
- DTXSID
DTXSID10302709
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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