2-(1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl)acetic acid
Basic information
- CAS
7499-39-0- Standard SMILES
Cc1cccc2c1C1c3c(C)cccc3C(CC(=O)O)CC1CC2- InChIKey
XWLULYBRJARUIE-UHFFFAOYSA-N- Molecular formula
- C22H24O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.17763
Names & identifiers
- Preferred name
- 2-(1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl)acetic acid
- IUPAC
- 2-(1,12-dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl)acetic acid
Names & synonyms
7499-39-0NSC4076522-(1,12-dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl)acetic acidDTXSID20324755NSC-407652(1,12-Dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl)acetic acid
Database identifiers
- CAS
7499-39-0- PubChem CID
- 348379
- DTXSID
DTXSID20324755
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…