Basic information
- CAS
66248-98-4- Standard SMILES
CC1CC(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
UJRGMTOHSINAQR-UHFFFAOYSA-N- Molecular formula
- C10H9NO3
- Average molar mass
- 191.18 g/mol
- Monoisotopic mass
- 191.05824315
Names & identifiers
- Preferred name
- 3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one
- IUPAC
- 3-methyl-6-nitro-2,3-dihydroinden-1-one
Names & synonyms
1-Indanone, 3-methyl-6-nitro3-methyl-6-nitro-2,3-dihydro-1H-inden-1-one66248-98-4SCHEMBL174607743-Methyl-6-nitro-1-indanone #DTXSID4012624472,3-Dihydro-3-methyl-6-nitro-1H-inden-1-one3-methyl-6-nitro-2,3-dihydro-1-H-inden-1-one
Database identifiers
- CAS
66248-98-4- PubChem CID
- 600702
- DTXSID
DTXSID401262447
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 271
Related reactions
3 records
Compound notes
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