Basic information
- Standard SMILES
COc1c([N+](=O)[O-])c(O)c([N+](=O)[O-])c(O)c1[N+](=O)[O-]- InChIKey
LHDGBTOSMZBCCR-UHFFFAOYSA-N- Molecular formula
- C7H5N3O9
- Average molar mass
- 275.13 g/mol
- Monoisotopic mass
- 275.00257875
Names & identifiers
- Preferred name
- 5-Methoxystyphnic acid
- IUPAC
- 5-methoxy-2,4,6-trinitrobenzene-1,3-diol
Names & synonyms
5-methoxystyphnic acidSCHEMBL1502035LHDGBTOSMZBCCR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 46909768
- Nikkaji
- J2.885.508G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 187 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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