AG008ZFR

Name: 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(1-methylethyl)-
Brand: Angene Chemical
SKU: AG008ZFR

113100-42-8 | 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(1-methylethyl)-

AG008ZFR

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COA

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CAS Number	113100-42-8
Catalog Number	AG008ZFR(AGN-PC-000X8P)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(1-methylethyl)-
IUPAC Name	3-methyl-1-propan-2-ylpyrazole-4-carboxylic acid
InChI	InChI=1S/C8H12N2O2/c1-5(2)10-4-7(8(11)12)6(3)9-10/h4-5H,1-3H3,(H,11,12)
InChI Key	JOTOIXQDQQRWDI-UHFFFAOYSA-N
MDL Number	MFCD08700649
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	C(C)(C)n1cc(c(n1)C)C(=O)O
Synonyms	1-Isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid, 113100-42-8, 3-methyl-1-(propan-2-yl)-1H-pyrazole-4-carboxylic acid, 3-methyl-1-(methylethyl)pyrazole-4-carboxylic acid, SCHEMBL574640, JOTOIXQDQQRWDI-UHFFFAOYSA-N, ALBB-013436, 8985AC, MFCD08700649, SBB026693, STK510117, ZINC11920557, AKOS003672890, MCULE-4631551437, AJ-60543, FT-0711853, ST45135546, EN300-92564, 1-isopropyl-3-methylpyrazole-4-carboxylic acid, F2169-0868, Z2106601348, 1-(1-methylethyl)-3-methyl-1H-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(1-methylethyl)-, C8H12N2O2,

Complexity	182
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	1
Isotope Atom Count	0
Molecular Weight	168.196g/mol
Monoisotopic Mass	168.09g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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