Basic information
- CAS
61675-23-8- Standard SMILES
O=[N+]([O-])C=Cc1cc2c(cc1O)OCO2- InChIKey
IZQDCWXYBYGLMU-UHFFFAOYSA-N- Molecular formula
- C9H7NO5
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.03242232
Names & identifiers
- Preferred name
- 1,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-
- IUPAC
- 6-(2-nitroethenyl)-1,3-benzodioxol-5-ol
Names & synonyms
61675-23-81,3-Benzodioxol-5-ol, 6-(2-nitroethenyl)-DTXSID503154196-(2-Nitroethen-1-yl)-2H-1,3-benzodioxol-5-ol
Database identifiers
- CAS
61675-23-8- PubChem CID
- 325547
- DTXSID
DTXSID50315419
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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