AG01ACW2

Name: 1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG01ACW2

113100-46-2 | 1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid

AG01ACW2

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CAS Number	113100-46-2
Catalog Number	AG01ACW2(AGN-PC-000X8Q)
Chemical Name	1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	1-butyl-3-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C9H14N2O2/c1-3-4-5-11-6-8(9(12)13)7(2)10-11/h6H,3-5H2,1-2H3,(H,12,13)
InChI Key	NWLGJRFMXACACK-UHFFFAOYSA-N
MDL Number	MFCD14609679
Molecular Formula	C9H14N2O2
Molecular Weight	182.2197
SMILES	CCCCN1N=C(C)C(C(O)=O)=C1
Synonyms	1-butyl-3-methyl-1H-pyrazole-4-carboxylic acid, 113100-46-2, ZINC40930467, AKOS010522902, MCULE-9059254584, NE29027, Z1708090068,

Complexity	185
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	4
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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