Tricyclo[2.2.1.0(1,4)]heptan-2-one, 6-nitro-
Basic information
- CAS
56666-50-3- Standard SMILES
O=C1CC23CC([N+](=O)[O-])C12C3- InChIKey
CJHXZSNHHVZUOA-UHFFFAOYSA-N- Molecular formula
- C7H7NO3
- Average molar mass
- 153.14 g/mol
- Monoisotopic mass
- 153.04259309
Names & identifiers
- Preferred name
- Tricyclo[2.2.1.0(1,4)]heptan-2-one, 6-nitro-
- IUPAC
- 6-nitrotricyclo[2.2.1.01,4]heptan-2-one
- English name
- 6-Nitrotricyclo[2.2.1.01,4]heptan-2-one
- Molecular formula
- C7H7NO3
- Molecular weight
- 153.14
Names & synonyms
Tricyclo[2.2.1.0(1,4)]heptan-2-one, 6-nitro-56666-50-3DTXSID00339302CJHXZSNHHVZUOA-UHFFFAOYSA-N6-Nitrotricyclo[2.2.1.0~1,4~]heptan-2-one6-Nitrotricyclo[2.2.1.01,4]heptan-2-oneTricyclo[2.2.1.01,4]heptan-2-one, 6-nitro- (9CI)
Database identifiers
- CAS
56666-50-3- PubChem CID
- 555294
- DTXSID
DTXSID00339302- Nikkaji
- J113.723I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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