AG01AK4B

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CAS Number	53483-11-7
Catalog Number	AG01AK4B(AGN-PC-0SFB2F)
Chemical Name	2-Benzyl-3-methylbutanoic acid
IUPAC Name	2-benzyl-3-methylbutanoic acid
InChI	InChI=1S/C12H16O2/c1-9(2)11(12(13)14)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)
InChI Key	VPRLUXYRQIHROC-UHFFFAOYSA-N
MDL Number	MFCD12794598
Molecular Formula	C12H16O2
Molecular Weight	192.2542
SMILES	CC(C(C(O)=O)CC1=CC=CC=C1)C
Synonyms	2-benzyl-3-methylbutanoic acid, 53483-11-7, 2-benzyl-3-methyl-butyric acid, SCHEMBL883357, AKOS010365542, MCULE-2818886983, NE21211, EN300-82667, Z1250132408,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.258g/mol
Monoisotopic Mass	192.115g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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