Basic information
- CAS
121625-58-9- Standard SMILES
CC1=C[C@@H]2CCCC[C@H]2c2ccccc21- InChIKey
AAWMBIUFIQYVAV-GXTWGEPZSA-N- Molecular formula
- C15H18
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.14085057
Names & identifiers
- Preferred name
- 9-Methyl-trans-1,2,3,4,4a,10a-hexahydrophenanthrene
- IUPAC
- (4aR,10aS)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthrene
Names & synonyms
9-Methyl-trans-1,2,3,4,4a,10a-hexahydrophenanthrene121625-58-9L2IBP1NA031,2,3,4,4a,10a-Hexahydro-9-methylphenanthrene, trans-CCRIS 7434UNII-L2IBP1NA03DTXSID20153320(4aR,10aS)-9-methyl-1,2,3,4,4a,10a-hexahydrophenanthreneQ27282623trans-1,2,3,4,4a,10a-hexahydro-9-methylphenanthrenePHENANTHRENE, 1,2,3,4,4A,10A-HEXAHYDRO-9-METHYL-, TRANS-
Database identifiers
- CAS
121625-58-9- PubChem CID
- 147684
- DTXSID
DTXSID20153320- UNII
- L2IBP1NA03
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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