1-Methyl-5-nitro-1H-indene
Basic information
- CAS
170941-21-6- Standard SMILES
CC1C=Cc2cc([N+](=O)[O-])ccc21- InChIKey
WUUUSVTZPSFHKA-UHFFFAOYSA-N- Molecular formula
- C10H9NO2
- Average molar mass
- 175.18 g/mol
- Monoisotopic mass
- 175.06332853
Names & identifiers
- Preferred name
- 1-Methyl-5-nitro-1H-indene
- IUPAC
- 1-methyl-5-nitro-1H-indene
Names & synonyms
1-Methyl-5-nitro-1H-indeneDTXSID701311809170941-21-6
Database identifiers
- CAS
170941-21-6- PubChem CID
- 85533958
- DTXSID
DTXSID701311809
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…