Basic information
- CAS
1261966-60-2- Standard SMILES
Cc1cc(C(=O)O)ccc1-c1cccc([N+](=O)[O-])c1- InChIKey
WXEUCUCXQKNDEQ-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- 3-Methyl-4-(3-nitrophenyl)benzoic acid
- IUPAC
- 3-methyl-4-(3-nitrophenyl)benzoic acid
Names & synonyms
1261966-60-23-METHYL-4-(3-NITROPHENYL)BENZOIC ACIDMFCD18320428DTXSID606900423-Methyl-4-(3-nitrophenyl)benzoic acid, 95%2-Methyl-3'-nitro[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
1261966-60-2- PubChem CID
- 53226331
- DTXSID
DTXSID60690042
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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