Basic information
- CAS
85365-92-0- Standard SMILES
COc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
VBLDFIFEVZSYAR-UHFFFAOYSA-N- Molecular formula
- C8H6N2O7
- Average molar mass
- 242.14 g/mol
- Monoisotopic mass
- 242.01750053
Names & identifiers
- Preferred name
- 4-Methoxy-3,5-dinitrobenzoic acid
- IUPAC
- 4-methoxy-3,5-dinitrobenzoic acid
Names & synonyms
4-methoxy-3,5-dinitrobenzoic acid85365-92-0DTXSID70303151RefChem:293826DTXCID60254284VBLDFIFEVZSYAR-UHFFFAOYSA-N4-Methoxy-3,5-dinitro-benzoic acidbenzoic acid, 4-methoxy-3,5-dinitro-NSC1569842,6-dinitro-4-carboxyanisoleSCHEMBL52204343,5-Dinitro-4-methoxybenzoic acid
Show more names
BBL008031MFCD00772339SBB027141STK662280AKOS000428213NSC-156984VS-01792ST4148361
Database identifiers
- CAS
85365-92-0- PubChem CID
- 291645
- DTXSID
DTXSID70303151
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
LogP1.73
Related reactions
4 records
Compound notes
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