4-Methoxy-6-(2-nitro-1-propenyl)-1,3-benzodioxole
Basic information
- CAS
17055-07-1- Standard SMILES
COc1cc(C=C(C)[N+](=O)[O-])cc2c1OCO2- InChIKey
URIZGFKLZDNSIH-UHFFFAOYSA-N- Molecular formula
- C11H11NO5
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.06372245
Names & identifiers
- Preferred name
- 4-Methoxy-6-(2-nitro-1-propenyl)-1,3-benzodioxole
- IUPAC
- 4-methoxy-6-(2-nitroprop-1-enyl)-1,3-benzodioxole
Names & synonyms
EINECS 241-116-34-methoxy-6-(2-nitroprop-1-enyl)-1,3-benzodioxole17055-07-14-Methoxy-6-(2-nitroprop-1-en-1-yl)-2H-1,3-benzodioxole4-Methoxy-6-(2-nitro-1-propenyl)-1,3-benzodioxoleBETA-NITROISOMYRISTICINDTXSID80937784URIZGFKLZDNSIH-UHFFFAOYSA-NFN70594NS00055110
Database identifiers
- CAS
17055-07-1- PubChem CID
- 86502
- DTXSID
DTXSID80937784- EC Number
- 241-116-3
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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