1-Methyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
Basic information
- CAS
89646-08-2- Standard SMILES
CC1c2ccc3c(c2CCC1C(=O)O)CCCC3- InChIKey
XYDKHJJGDXUCAM-UHFFFAOYSA-N- Molecular formula
- C16H20O2
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.14632988
Names & identifiers
- Preferred name
- 1-Methyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
- IUPAC
- 1-methyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid
Names & synonyms
89646-08-2DTXSID805370811-METHYL-1,2,3,4,5,6,7,8-OCTAHYDROPHENANTHRENE-2-CARBOXYLIC ACID
Database identifiers
- CAS
89646-08-2- PubChem CID
- 13330735
- DTXSID
DTXSID80537081
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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