Basic information
- CAS
6332-21-4- Standard SMILES
COc1ccc2c(c1)C(C(=O)O)CC1CCC(=O)C=C21- InChIKey
GTJWJNAJBVXGOW-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Names & identifiers
- Preferred name
- 7-Methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acid
- IUPAC
- 7-methoxy-3-oxo-2,9,10,10a-tetrahydro-1H-phenanthrene-9-carboxylic acid
Names & synonyms
6332-21-47-methoxy-3-oxo-1,2,3,9,10,10a-hexahydrophenanthrene-9-carboxylic acidNSC17053DTXSID20280468NSC-17053
Database identifiers
- CAS
6332-21-4- PubChem CID
- 226506
- DTXSID
DTXSID20280468
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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