Basic information
- CAS
73232-91-4- Standard SMILES
COc1cc2c(c(C)c1C)CC(=NO)C2=O- InChIKey
LVSGCAIMZWAQHQ-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- 2-(Hydroxyimino)-6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-one
- IUPAC
- 2-hydroxyimino-6-methoxy-4,5-dimethyl-3H-inden-1-one
Names & synonyms
73232-91-4DTXSID208231322-(Hydroxyimino)-6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-one
Database identifiers
- CAS
73232-91-4- PubChem CID
- 71402136
- DTXSID
DTXSID20823132
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…