AG000GIV

Name: 5-tert-Butyl-1H-pyrazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG000GIV

1152540-42-5 | 5-tert-Butyl-1H-pyrazole-4-carboxylic acid

AG000GIV

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CAS Number	1152540-42-5
Catalog Number	AG000GIV(AGN-PC-0WCB1J)
Chemical Name	5-tert-Butyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-tert-butyl-1H-pyrazole-4-carboxylic acid
InChI	InChI=1S/C8H12N2O2/c1-8(2,3)6-5(7(11)12)4-9-10-6/h4H,1-3H3,(H,9,10)(H,11,12)
InChI Key	CWYRBBYXHPMQBP-UHFFFAOYSA-N
MDL Number	MFCD09258851
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CC(C1C(C(O)=O)=CNN=1)(C)C
Synonyms	1152540-42-5, 3-(tert-Butyl)-1H-pyrazole-4-carboxylic acid, 3-tert-Butyl-1H-pyrazole-4-carboxylic acid, 5-tert-butyl-1H-pyrazole-4-carboxylic acid, SCHEMBL13373959, CTK7I6390, KS-00003T6K, SBB053194, ZINC20357814, AKOS009246143, AKOS022475346, 3-(tert-butyl)pyrazole-4-carboxylic acid, TS-02278, 1H-Pyrazole-4-carboxylic acid, 3-(1,1-dimethylethyl)-, Z2216314136,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.09g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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