3-(2,4-Dimethoxy-5-nitrophenyl)prop-2-enoic acid
Basic information
- CAS
7507-94-0- Standard SMILES
COc1cc(OC)c([N+](=O)[O-])cc1C=CC(=O)O- InChIKey
NFRQBXNHBOPENN-UHFFFAOYSA-N- Molecular formula
- C11H11NO6
- Average molar mass
- 253.21 g/mol
- Monoisotopic mass
- 253.05863707
Names & identifiers
- Preferred name
- 3-(2,4-Dimethoxy-5-nitrophenyl)prop-2-enoic acid
- IUPAC
- 3-(2,4-dimethoxy-5-nitrophenyl)prop-2-enoic acid
Database identifiers
- CAS
7507-94-0- PubChem CID
- 344488
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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