AG01A6S8

Name: 1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG01A6S8

113100-47-3 | 1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid

AG01A6S8

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CAS Number	113100-47-3
Catalog Number	AG01A6S8(AGN-PC-000X8R)
Chemical Name	1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1-tert-butyl-3-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C9H14N2O2/c1-6-7(8(12)13)5-11(10-6)9(2,3)4/h5H,1-4H3,(H,12,13)
InChI Key	YKVWUVSWHUEXMJ-UHFFFAOYSA-N
MDL Number	MFCD11043002
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	CC1C(C(O)=O)=CN(C(C)(C)C)N=1
Synonyms	113100-47-3, 1-tert-butyl-3-methyl-1H-pyrazole-4-carboxylic acid, 1-(tert-Butyl)-3-methyl-1H-pyrazole-4-carboxylic acid, SCHEMBL19449357, ZINC36894460, AKOS009306432, NE27390,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.106g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.223g/mol
Monoisotopic Mass	182.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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