2-{(E)-[2-(4-Methylphenyl)-2-oxoethylidene]amino}benzoic acid
Basic information
- CAS
87046-90-0- Standard SMILES
Cc1ccc(C(=O)C=Nc2ccccc2C(=O)O)cc1- InChIKey
LBDMJTIKMJEQMO-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 2-{(E)-[2-(4-Methylphenyl)-2-oxoethylidene]amino}benzoic acid
- IUPAC
- 2-[[2-(4-methylphenyl)-2-oxoethylidene]amino]benzoic acid
Names & synonyms
87046-90-0NSC166036DTXSID303045082-{(E)-[2-(4-Methylphenyl)-2-oxoethylidene]amino}benzoic acidNSC-166036
Database identifiers
- CAS
87046-90-0- PubChem CID
- 296165
- DTXSID
DTXSID30304508
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 66.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
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Compound notes
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