AG00DCLT

54903-16-1 | 2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid

AG00DCLT

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CAS Number	54903-16-1
Catalog Number	AG00DCLT(AGN-PC-0JQ3HQ)
Chemical Name	2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
IUPAC Name	2-oxo-3H-1,3-benzoxazole-6-carboxylic acid
InChI	InChI=1S/C8H5NO4/c10-7(11)4-1-2-5-6(3-4)13-8(12)9-5/h1-3H,(H,9,12)(H,10,11)
InChI Key	BZRKWTCIDCRBMY-UHFFFAOYSA-N
MDL Number	MFCD11179328
Molecular Formula	C8H5NO4
Molecular Weight	179.1296
NSC Number	690677
SMILES	O=C(C1=CC=C2NC(OC2=C1)=O)O
Synonyms	54903-16-1, 2-oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid, 2-oxo-2,3-dihydrobenzo[d]oxazole-6-carboxylic acid, 2-oxo-3H-1,3-benzoxazole-6-carboxylic acid, 6-Benzoxazolecarboxylic acid, 2,3-dihydro-2-oxo-, NSC690677, 2-Hydroxybenzo[d]oxazole-6-carboxylic acid, 6-Benzoxazolecarboxylicacid,2,3-dihydro-2-oxo-, 2-oxobenzoxazole-6-carboxylic acid, SCHEMBL118684, AC1Q73U3, AMOT0413, CHEMBL1968987, CTK5A2747, DTXSID40327824, BZRKWTCIDCRBMY-UHFFFAOYSA-N, AC1L9251, KS-000026KR, ZINC1652425, 5433AE, MFCD11179328, SBB089512, AKOS005073044, AKOS022468487, AM84985, HD-0726, MCULE-1796229441, NSC-690677, RP10822, WT82087, AJ-28822, AK-67987, NCI60_032566, SY174510, 2-oxo-3-hydrobenzoxazole-6-carboxylic acid, TR-037052, FT-0681311, EN300-53945, MFCD11179328 (95%), Z-1995, 2-oxo-2,3-dihydro-benzooxazole-6-carboxylic acid, J-510214, I14-12982, Z815264190, C8H5NO4, CID391472, ACN-038842, 2-Cyano-N-(3,4-dichlorophenyl)acetamide, 1-(1,4-diazepan-1-yl)-2-(3-fluorophenyl)ethanone, 1016713-62-4, N/A,

Complexity	253
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.022g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	179.131g/mol
Monoisotopic Mass	179.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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