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Home > Encyclopedia > 2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid

2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid

2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid structure

2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid 

structure
  • CAS No:

    76752-11-9

  • Formula:

    C17H13NO5

  • Chemical Name:

    2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid

  • 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

2-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid Basic Attributes

311.29 g/mol

311.07937252 g/mol

Characteristics

83.9 Ų

2.4711

106 °C (acetic acid)

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

Synthesis Route

1
76752-06-2 molecular formula picture

76752-06-2

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