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Basic information
- CAS
69447-75-2- Standard SMILES
COc1ccc([N+](=O)[O-])cc1C=CC(=O)O- InChIKey
PTGPYHUXNRRNOM-UHFFFAOYSA-N- Molecular formula
- C10H9NO5
- Average molar mass
- 223.18 g/mol
- Monoisotopic mass
- 223.04807239
Names & identifiers
- Preferred name
- CID 112285
- IUPAC
- 3-(2-methoxy-5-nitrophenyl)prop-2-enoic acid
Names & synonyms
SCHEMBL6588022
Database identifiers
- CAS
69447-75-2- PubChem CID
- 112285
- DTXSID
DTXSID8071984
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Related reactions
1 records
Compound notes
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