[(Z)-5-(1,3-benzodioxol-5-yl)-4-nitropent-4-enyl] acetate
Basic information
- CAS
21461-33-6- Standard SMILES
CC(=O)OCCC/C(=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]- InChIKey
JVSXIXYPFPDPBY-GHXNOFRVSA-N- Molecular formula
- C14H15NO6
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.0899372
Names & identifiers
- Preferred name
- [(Z)-5-(1,3-benzodioxol-5-yl)-4-nitropent-4-enyl] acetate
- IUPAC
- [(Z)-5-(1,3-benzodioxol-5-yl)-4-nitropent-4-enyl] acetate
Names & synonyms
21461-33-6NSC106584NSC-106584
Database identifiers
- CAS
21461-33-6- PubChem CID
- 54599002
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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