1,2-Dimethyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
Basic information
- CAS
89646-10-6- Standard SMILES
CC1c2ccc3c(c2CCC1(C)C(=O)O)CCCC3- InChIKey
HDSMMAAMQHVYQZ-UHFFFAOYSA-N- Molecular formula
- C17H22O2
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.16197994
Names & identifiers
- Preferred name
- 1,2-Dimethyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
- IUPAC
- 1,2-dimethyl-3,4,5,6,7,8-hexahydro-1H-phenanthrene-2-carboxylic acid
Names & synonyms
89646-10-6DTXSID005370831,2-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE-2-CARBOXYLIC ACID
Database identifiers
- CAS
89646-10-6- PubChem CID
- 13330737
- DTXSID
DTXSID00537083
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
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Compound notes
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