2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
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2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
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CAS No:
76752-11-9
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Formula:
C17H13NO5
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Chemical Name:
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
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Synonyms:
76752-11-9;BRN 5602535;6-Benzoyl-alpha-methyl-2-oxo-3-benzoxazolineacetic acid;3-BENZOXAZOLINEACETIC ACID, 6-BENZOYL-alpha-METHYL-2-OXO-;DTXSID90998068;6-Benzoyl-alpha-methyl-2-oxo-3(2H)-benzoxazoleacetic acid;2-(6-Benzoyl-2-oxo-1,3-benzoxazol-3(2H)-yl)propanoic acid
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CAS No:
2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid Basic Attributes
311.29 g/mol
311.07937252 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Oral | Rodent - mouse | 2480 mg/kg | Details of toxic effects not reported other than lethal dose value-- | European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,453,1980 |
Computed Properties
Molecular Weight:311.29
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:311.07937252
Monoisotopic Mass:311.07937252
Topological Polar Surface Area:83.9
Heavy Atom Count:23
Complexity:499
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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