Basic information
- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C(=O)O)c1[N+](=O)[O-]- InChIKey
MXTQZBOKHRVZKN-UHFFFAOYSA-N- Molecular formula
- C8H6N2O6
- Average molar mass
- 226.14 g/mol
Names & identifiers
- Preferred name
- 3-Methyl-2,6-dinitrobenzoic acid
- IUPAC
- 3-methyl-2,6-dinitrobenzoic acid
Names & synonyms
3-methyl-2,6-dinitrobenzoic acid3478-09-9MFCD26393268SCHEMBL395027SCHEMBL30527914MXTQZBOKHRVZKN-UHFFFAOYSA-N3-methyl-2,6-dinitro-benzoic acidSY479441DB-304721C91642
Database identifiers
- PubChem CID
- 54096940
- Nikkaji
- J2.599.630E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Related reactions
19 records
Compound notes
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