Basic information
- Standard SMILES
CC(=O)OC1C=CC([N+](=O)[O-])CCC1- InChIKey
AHOIMBFDDGMQPV-UHFFFAOYSA-N- Molecular formula
- C9H13NO4
- Average molar mass
- 199.2 g/mol
- Monoisotopic mass
- 199.0844579
Names & identifiers
- Preferred name
- 1-Acetoxy-4-nitro-2-cycloheptene
- IUPAC
- (4-nitrocyclohept-2-en-1-yl) acetate
Names & synonyms
SCHEMBL11436788AHOIMBFDDGMQPV-UHFFFAOYSA-N1-acetoxy-4-nitro-2-cycloheptene
Database identifiers
- PubChem CID
- 23345474
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Related reactions
1 records
Compound notes
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