AG0015LX

Name: 3-(tert-Butyl)isoxazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG0015LX

1217047-14-7 | 3-(tert-Butyl)isoxazole-4-carboxylic acid

AG0015LX

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CAS Number	1217047-14-7
Catalog Number	AG0015LX(AGN-PC-0WCB1G)
Chemical Name	3-(tert-Butyl)isoxazole-4-carboxylic acid
IUPAC Name	3-tert-butyl-1,2-oxazole-4-carboxylic acid
InChI	InChI=1S/C8H11NO3/c1-8(2,3)6-5(7(10)11)4-12-9-6/h4H,1-3H3,(H,10,11)
InChI Key	FQFFUIWYRYRXCN-UHFFFAOYSA-N
MDL Number	MFCD11100075
Molecular Formula	C8H11NO3
Molecular Weight	169.1778
SMILES	CC(C1C(C(O)=O)=CON=1)(C)C
Synonyms	1217047-14-7, 3-(tert-butyl)isoxazole-4-carboxylic acid, 3-tert-butyl-1,2-oxazole-4-carboxylic acid, 3-TERT-BUTYL-ISOXAZOLE-4-CARBOXYLIC ACID, 3-tert-Butylisoxazole-4-carboxylic acid, SCHEMBL2446630, CTK7J0700, KS-00003T6U, SBB053163, ZINC40447942, AKOS006308951, TS-02293, Z-5325, 4-Isoxazolecarboxylic acid, 3-(1,1-dimethylethyl)-, ACN-044542,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	169.18g/mol
Monoisotopic Mass	169.074g/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

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