AG005DZ3

76344-95-1 | 5-Phenylisoxazole-4-carboxylic acid

AG005DZ3

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CAS Number	76344-95-1
Catalog Number	AG005DZ3(AGN-PC-002JVD)
Chemical Name	5-Phenylisoxazole-4-carboxylic acid
IUPAC Name	5-phenyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C10H7NO3/c12-10(13)8-6-11-14-9(8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChI Key	VUVDFZMYJYNLCH-UHFFFAOYSA-N
MDL Number	MFCD05865189
Molecular Formula	C10H7NO3
Molecular Weight	189.1675
SMILES	O=C(C1=C(C2=CC=CC=C2)ON=C1)O
Synonyms	5-Phenylisoxazole-4-carboxylic acid, 76344-95-1, 5-phenyl-4-isoxazolecarboxylic acid, 5-phenyl-1,2-oxazole-4-carboxylic acid, 4-Isoxazolecarboxylic acid, 5-phenyl-, SCHEMBL544183, CTK2H6769, DTXSID40564030, VUVDFZMYJYNLCH-UHFFFAOYSA-N, 5-phenylisoxazol-4-carboxylic acid, ALBB-018098, ZINC2563923, 9388AE, MFCD05865189, 4-Isoxazolecarboxylicacid, 5-phenyl-, 5-(phenyl)isoxazole-4-carboxylic acid, AKOS005265058, MCULE-6818040380, AJ-40975, 5-Phenylisoxazole-4-carboxylic acid, 97%, TR-054033, BB 0262835, Y-1982, I14-11012, F2199-0102, Z1551476091, C10H7NO3, 5-Phenylisoxazole-4-carboxylicacid, 5-PHENYL-4-ISOXAZOLECARBOXYLICACID,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.043g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.17g/mol
Monoisotopic Mass	189.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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