AG0013EO

1375064-71-3 | 3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-

AG0013EO

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CAS Number	1375064-71-3
Catalog Number	AG0013EO(AGN-PC-0WAARV)
Chemical Name	3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-
IUPAC Name	5-(4-carboxyphenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C11H7NO5/c13-10(14)7-3-1-6(2-4-7)9-5-8(11(15)16)12-17-9/h1-5H,(H,13,14)(H,15,16)
InChI Key	FUWUAFDSPMHYPU-UHFFFAOYSA-N
MDL Number	MFCD22192330
Molecular Formula	C11H7NO5
Molecular Weight	233.1770
SMILES	O=C(C1=NOC(C2=CC=C(C(O)=O)C=C2)=C1)O
Synonyms	5-(4-Carboxyphenyl)isoxazole-3-carboxylic Acid, 1375064-71-3, KS-00000CPS, 6258AJ, MFCD22192330, ZINC90686269, AKOS025404341, TRA0076282, AS-32266, SY015169, TC-307780, 5-(4-Carboxyphenyl)isoxazole-3-carboxylicAcid, Z-4287, MFCD22192330 (95+%), 3-Isoxazolecarboxylic acid, 5-(4-carboxyphenyl)-, 5-(4-Carboxyphenyl)-1,2-oxazole-3-carboxylic acid, C11H7NO5, 5-(4-carboxyphenyl)-3-Isoxazolecarboxylic acid, 1123-56-4,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.032g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.179g/mol
Monoisotopic Mass	233.032g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	101A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number