AG00JEVN

Name: 1-Isobutyl-1H-pyrazole-5-carboxylic acid
Brand: Angene Chemical
SKU: AG00JEVN

1006493-85-1 | 1-Isobutyl-1H-pyrazole-5-carboxylic acid

AG00JEVN

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COA

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CAS Number	1006493-85-1
Catalog Number	AG00JEVN(AGN-PC-0WBAN5)
Chemical Name	1-Isobutyl-1H-pyrazole-5-carboxylic acid
IUPAC Name	2-(2-methylpropyl)pyrazole-3-carboxylic acid
InChI	InChI=1S/C8H12N2O2/c1-6(2)5-10-7(8(11)12)3-4-9-10/h3-4,6H,5H2,1-2H3,(H,11,12)
InChI Key	XTWDDHNVKGTPLR-UHFFFAOYSA-N
MDL Number	MFCD06805234
Molecular Formula	C8H12N2O2
Molecular Weight	168.1931
SMILES	CC(CN1C(C(O)=O)=CC=N1)C
Synonyms	1-ISOBUTYL-1H-PYRAZOLE-5-CARBOXYLIC ACID, 1006493-85-1, 1-(2-methylpropyl)-1H-pyrazole-5-carboxylic acid, 1-(2-methylpropyl)pyrazole-5-carboxylic acid, SCHEMBL14108796, CTK6A8522, MFCD06805234, SBB022927, STK350120, ZINC12357788, AKOS000308839, MCULE-2449200399, AS-48375, ST45133792, EN300-92741, F8881-2326, Z2106594218,

Complexity	170
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	3
Topological Polar Surface Area	55.1A^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