Basic information
- CAS
7471-36-5- Standard SMILES
COC(=O)C1(C)CCc2c(ccc3ccccc23)C1=O- InChIKey
ILMFCMIMBMTSIG-UHFFFAOYSA-N- Molecular formula
- C17H16O3
- Average molar mass
- 268.31 g/mol
- Monoisotopic mass
- 268.10994437
Names & identifiers
- Preferred name
- Methyl 2-methyl-1-oxo-1,2,3,4-tetrahydrophenanthrene-2-carboxylate
- IUPAC
- methyl 2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate
Names & synonyms
MLS0031715467471-36-5NSC403583CHEMBL1997154DTXSID20323324methyl 2-methyl-1-oxo-1,2,3,4-tetrahydrophenanthrene-2-carboxylateNSC-403583NCI60_003806SMR001875429
Database identifiers
- CAS
7471-36-5- PubChem CID
- 345802
- DTXSID
DTXSID20323324- ChEMBL
CHEMBL1997154
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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