Basic information
- CAS
55027-90-2- Standard SMILES
Cc1cc2c(cc1C)CCC(=O)CC2- InChIKey
CXCATVOZSHFPSU-UHFFFAOYSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- 7H-Benzocyclohept-7-one,2,3-dimethyl-
- IUPAC
- 2,3-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
Names & synonyms
7H-Benzocyclohept-7-one,2,3-dimethyl-55027-90-2DTXSID902035632,3-dimethyl-5,6,8,9-tetrahydro-7H-benzo[7]annulen-7-one
Database identifiers
- CAS
55027-90-2- PubChem CID
- 143239
- DTXSID
DTXSID90203563
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…