Basic information
- Standard SMILES
CC(=O)Oc1ccc([N+](=O)[O-])c(O)c1- InChIKey
CIHJXKYKTHZEER-UHFFFAOYSA-N- Molecular formula
- C8H7NO5
- Average molar mass
- 197.14 g/mol
- Monoisotopic mass
- 197.03242232
Names & identifiers
- Preferred name
- 3-Hydroxy-4-nitrophenyl acetate
- IUPAC
- (3-hydroxy-4-nitrophenyl) acetate
Names & synonyms
3-hydroxy-4-nitrophenyl acetateSCHEMBL9635580CIHJXKYKTHZEER-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20139690
- Nikkaji
- J2.374.391D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Related reactions
2 records
Compound notes
Loading…