AG01BEAV

Name: 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid
Brand: Angene Chemical
SKU: AG01BEAV

116344-33-3 | 5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid

AG01BEAV

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CAS Number	116344-33-3
Catalog Number	AG01BEAV(AGN-PC-00031B)
Chemical Name	5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid
IUPAC Name	5-benzyl-1-methylpyrazole-4-carboxylic acid
InChI	InChI=1S/C12H12N2O2/c1-14-11(10(8-13-14)12(15)16)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,16)
InChI Key	XMXARGHDAOOJOB-UHFFFAOYSA-N
MDL Number	MFCD24489422
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	CN1C(CC2=CC=CC=C2)=C(C(O)=O)C=N1
Synonyms	5-benzyl-1-methyl-1H-pyrazole-4-carboxylic acid, 116344-33-3, ZINC34204232, AKOS022652093, NE43944, Z1895742038,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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