AG01AAES

Name: 3-(3-Cyanophenyl)isoxazole-5-carboxylic acid
Brand: Angene Chemical
SKU: AG01AAES

1152531-77-5 | 3-(3-Cyanophenyl)isoxazole-5-carboxylic acid

AG01AAES

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CAS Number	1152531-77-5
Catalog Number	AG01AAES
Chemical Name	3-(3-Cyanophenyl)isoxazole-5-carboxylic acid
IUPAC Name	3-(3-cyanophenyl)-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C11H6N2O3/c12-6-7-2-1-3-8(4-7)9-5-10(11(14)15)16-13-9/h1-5H,(H,14,15)
InChI Key	TZDONYAQYVKDDH-UHFFFAOYSA-N
MDL Number	MFCD10694133
Molecular Formula	C11H6N2O3
Molecular Weight	214.1769
SMILES	OC(C1ON=C(C2=CC(C#N)=CC=C2)C=1)=O
Synonyms	1152531-77-5, 3-(3-cyanophenyl)isoxazole-5-carboxylic acid, 3-(3-cyanophenyl)-1,2-oxazole-5-carboxylic acid, SCHEMBL6283121, TZDONYAQYVKDDH-UHFFFAOYSA-N, SBB085148, ZINC34972855, AKOS005206168, NE30473, EN300-68396, 3-(3-cyanophenyl)-isoxazole-5-carboxylic acid, Z1901070987, 3-(3-Cyano-phenyl)-isoxazole-5-carboxylic acid,

Complexity	322
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	1.6

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