Basic information
- CAS
66735-02-2- Standard SMILES
CC(Cc1cccc([N+](=O)[O-])c1)C(=O)O- InChIKey
CWZLOWGUBYYQFV-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- 2-Methyl-3-(3-nitrophenyl)propanoic acid
- IUPAC
- 2-methyl-3-(3-nitrophenyl)propanoic acid
Names & synonyms
2-methyl-3-(3-nitrophenyl)propanoic acid66735-02-2SCHEMBL10341513DTXSID201285461I+/--Methyl-3-nitrobenzenepropanoic acidEN300-1829778
Database identifiers
- CAS
66735-02-2- PubChem CID
- 20133461
- DTXSID
DTXSID201285461
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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