AG00EIVX

594839-90-4 | 2-Phenyl-1,3-benzoxazole-6-carboxylic acid

AG00EIVX

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CAS Number	594839-90-4
Catalog Number	AG00EIVX(AGN-PC-0NCI13)
Chemical Name	2-Phenyl-1,3-benzoxazole-6-carboxylic acid
IUPAC Name	2-phenyl-1,3-benzoxazole-6-carboxylic acid
InChI	InChI=1S/C14H9NO3/c16-14(17)10-6-7-11-12(8-10)18-13(15-11)9-4-2-1-3-5-9/h1-8H,(H,16,17)
InChI Key	ICSRYAQXSYGQSJ-UHFFFAOYSA-N
MDL Number	MFCD11890771
Molecular Formula	C14H9NO3
Molecular Weight	239.2262
SMILES	O=C(C1=CC=C2N=C(C3=CC=CC=C3)OC2=C1)O
Synonyms	2-Phenylbenzo[d]oxazole-6-carboxylic acid, 594839-90-4, 2-phenyl-1,3-benzoxazole-6-carboxylic acid, 2-phenyl-6-Benzoxazolecarboxylic acid, SCHEMBL121966, CHEMBL4098401, ICSRYAQXSYGQSJ-UHFFFAOYSA-N, ZINC33420214, 2-Phenylbenzoxazole-6-carboxylic acid, AKOS005764540, 2-Phenyl-benzoxazole-6-carboxylic acid, 2-Phenyl-benzooxazole-6-carboxylic acid, DA-25705, FT-0721804, 2-phenylbenzooxazole-6-carboxylic Acid, CID10900714, AJ-86069,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.058243g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	239.23g/mol
Monoisotopic Mass	239.058243g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	63.3Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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