2-(5-Methoxy-4-methyl-2-nitrophenyl)acetic acid
Basic information
- CAS
56473-72-4- Standard SMILES
COc1cc(CC(=O)O)c([N+](=O)[O-])cc1C- InChIKey
JCLMXANLRJJDLD-UHFFFAOYSA-N- Molecular formula
- C10H11NO5
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.06372245
Names & identifiers
- Preferred name
- 2-(5-Methoxy-4-methyl-2-nitrophenyl)acetic acid
- IUPAC
- 2-(5-methoxy-4-methyl-2-nitrophenyl)acetic acid
Names & synonyms
NSC28649456473-72-4DTXSID40314618AKOS005145256NSC-286494(5-Methoxy-4-methyl-2-nitrophenyl)acetic acid
Database identifiers
- CAS
56473-72-4- PubChem CID
- 323776
- DTXSID
DTXSID40314618
Properties
Computed structural properties
- XLogP
- 1.5
- 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
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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