2-((2,3-Dihydro-2-oxo-5-benzoxazol-yl)carbonyl)benzoic acid
Basic information
- CAS
58555-40-1- Standard SMILES
O=C(O)c1ccccc1C(=O)c1ccc2oc(=O)[nH]c2c1- InChIKey
USJCJMADQDMCDE-UHFFFAOYSA-N- Molecular formula
- C15H9NO5
- Average molar mass
- 283.23 g/mol
- Monoisotopic mass
- 283.04807239
Names & identifiers
- Preferred name
- 2-((2,3-Dihydro-2-oxo-5-benzoxazol-yl)carbonyl)benzoic acid
- IUPAC
- 2-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)benzoic acid
- English name
- 2-[(2,3-dihydro-2-oxo-5-benzoxazol-yl)carbonyl]benzoic acid
- Molecular formula
- C15H9NO5
- Molecular weight
- 283.24
Names & synonyms
58555-40-12-((2,3-Dihydro-2-oxo-5-benzoxazol-yl)carbonyl)benzoic acidMLS002638343NSC-13971NSC13971EINECS 261-324-8Y5DWS4CH78CHEMBL1705786SCHEMBL11217426DTXSID80207272USJCJMADQDMCDE-UHFFFAOYSA-NHMS3086P11
Show more names
5-Benzoylbenzoxazolone-2'-carboxylic acido-(2,3-Dihydro-2-oxobenzoxazol-5-ylcarbonyl)benzoic acid2-[(2,3-Dihydro-2-oxobenzoxazol-5-yl)carbonyl]benzoic acid2-[(2,3-dihydro-2-oxo-5-benzoxazol-yl)carbonyl]benzoic acid
2-(2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbonyl)benzoic acidNSC 13971SMR001547829DB-323564NS00054103AG-690/325260352-[(2-hydroxy-1,3-benzoxazol-5-yl)carbonyl]benzoic acidBenzoic acid, 2-[(2,3-dihydro-2-oxo-5-benzoxazolyl)carbonyl]-
Database identifiers
- CAS
58555-40-1- PubChem CID
- 94104
- DTXSID
DTXSID80207272- ChEMBL
CHEMBL1705786- UNII
- Y5DWS4CH78
- EC Number
- 261-324-8
- Nikkaji
- J24.422H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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