2,3-Dimethyl-5-nitrobenzoic acid
Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])cc(C(=O)O)c1C- InChIKey
LAUMVOSQJSQRJG-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
Names & identifiers
- Preferred name
- 2,3-Dimethyl-5-nitrobenzoic acid
- IUPAC
- 2,3-dimethyl-5-nitrobenzoic acid
Names & synonyms
2,3-dimethyl-5-nitrobenzoic acid110969-50-1SCHEMBL89086SCHEMBL30406917LAUMVOSQJSQRJG-UHFFFAOYSA-N2,3-dimethyl-5-nitro-benzoic acidDB-337869EN300-144998F85678
Database identifiers
- PubChem CID
- 13758131
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
4 records
Compound notes
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