AG0013DZ

Name: 3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-
Brand: Angene Chemical
SKU: AG0013DZ

1375064-45-1 | 3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-

AG0013DZ

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CAS Number	1375064-45-1
Catalog Number	AG0013DZ(AGN-PC-0HUMOY)
Chemical Name	3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-
IUPAC Name	5-(4-cyanophenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C11H6N2O3/c12-6-7-1-3-8(4-2-7)10-5-9(11(14)15)13-16-10/h1-5H,(H,14,15)
InChI Key	PDHRXDLHPHLFEX-UHFFFAOYSA-N
MDL Number	MFCD22192327
Molecular Formula	C11H6N2O3
Molecular Weight	214.1769
SMILES	O=C(C1=NOC(C2=CC=C(C#N)C=C2)=C1)O
Synonyms	5-(4-Cyanophenyl)isoxazole-3-carboxylic Acid, 1375064-45-1, SCHEMBL11902443, KS-00000CPT, PDHRXDLHPHLFEX-UHFFFAOYSA-N, 6261AJ, MFCD22192327, ZINC90567227, AKOS025404336, TRA0096252, AS-32027, SY015165, TC-307783, 5-(4-Cyanophenyl)isoxazole-3-carboxylicAcid, Z-4284, 3-Isoxazolecarboxylic acid, 5-(4-cyanophenyl)-, 5-(4-Cyano-phenyl)-isoxazole-3-carboxylic acid, MFCD22192327 (97+%), C11H6N2O3, 20352-84-5,

Complexity	314
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.038g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.18g/mol
Monoisotopic Mass	214.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited