AG01EKB4

Name: 4-[(4-methyl-1H-pyrazol-1-yl)methyl]benzoic acid
Brand: Angene Chemical
SKU: AG01EKB4

1119391-16-0 | 4-[(4-methyl-1H-pyrazol-1-yl)methyl]benzoic acid

AG01EKB4

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CAS Number	1119391-16-0
Catalog Number	AG01EKB4
Chemical Name	4-[(4-methyl-1H-pyrazol-1-yl)methyl]benzoic acid
IUPAC Name	4-[(4-methylpyrazol-1-yl)methyl]benzoic acid
InChI	InChI=1S/C12H12N2O2/c1-9-6-13-14(7-9)8-10-2-4-11(5-3-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)
InChI Key	DWASYAJWEIJMHH-UHFFFAOYSA-N
MDL Number	MFCD12030920
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	CC1=CN(CC2=CC=C(C(O)=O)C=C2)N=C1
Synonyms	SCHEMBL19087149, ZINC20426983, AKOS010092913, 4-[(4-METHYL-1H-PYRAZOL-1-YL)METHYL]BENZOIC ACID, 1119391-16-0,

Complexity	249
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