3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid

Modify Date: 2025-08-24 07:56:31

3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid structure	Common Name	3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid
	CAS Number	76752-01-7	Molecular Weight	311.28900
	Density	1.39g/cm3	Boiling Point	549.7ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₃NO₅	Melting Point	N/A
	MSDS	N/A	Flash Point	286.2ºC

Name	3-(6-benzoyl-2-oxo-1,3-benzoxazol-3-yl)propanoic acid
Synonym	More Synonyms

Density	1.39g/cm3
Boiling Point	549.7ºC at 760 mmHg
Molecular Formula	C₁₇H₁₃NO₅
Molecular Weight	311.28900
Flash Point	286.2ºC
Exact Mass	311.07900
PSA	89.51000
LogP	2.30020
Index of Refraction	1.631
InChIKey	HHGQHMARMJYJMK-UHFFFAOYSA-N
SMILES	O=C(O)CCn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM4895200

CHEMICAL NAME :: 3-Benzoxazolinepropionic acid, 6-benzoyl-2-oxo-

CAS REGISTRY NUMBER :: 76752-01-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H13-N-O5

MOLECULAR WEIGHT :: 311.31

WISWESSER LINE NOTATION :: T56 BNVOJ B2VQ GVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2560 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EJMCA5 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

HS Code	2934999090

6-benzoylbenzox...

CAS#:54903-12-7

3-Chloropropion...

CAS#:107-94-8

3-(6-benzoyl-2-...

CAS#:76752-01-7

Literature: Renard; Lesieur; Lespagnol; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 5 p. 453 - 456

Precursor 2
CAS#:54903-12-7 6-benzoylbenzox... CAS#:107-94-8 3-Chloropropion...
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-Benzoyl-2-oxo-3-benzoxazolinepropionic acid

JPB 52

3-BENZOXAZOLINEPROPIONIC ACID,6-BENZOYL-2-OXO

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3-(6-benzoyl-2-oxo-benzooxazol-3-yl)propanoic acid

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.