AG007MM9

Name: 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
Brand: Angene Chemical
SKU: AG007MM9

268219-99-4 | 3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid

AG007MM9

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COA

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CAS Number	268219-99-4
Catalog Number	AG007MM9(AGN-PC-0WBO5J)
Chemical Name	3-(4-Methoxy-benzylsulfanyl)-3-methyl-butyric acid
IUPAC Name	3-[(4-methoxyphenyl)methylsulfanyl]-3-methylbutanoic acid
InChI	InChI=1S/C13H18O3S/c1-13(2,8-12(14)15)17-9-10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H,14,15)
InChI Key	VLSLXZFZXHZCHI-UHFFFAOYSA-N
MDL Number	MFCD00237153
Molecular Formula	C13H18O3S
Molecular Weight	254.3452
SMILES	COc1ccc(cc1)CSC(CC(=O)O)(C)C
Synonyms	3-(4-METHOXY-BENZYLSULFANYL)-3-METHYL-BUTYRIC ACID, 268219-99-4, S-(4-METHOXYBENZYL)-DEAMINO-PENICILLAMINE, SCHEMBL8746111, CTK4F8566, DTXSID70427164, ZINC2560758, 5197AH, MFCD00237153, AKOS025404110, ACM268219994, beta-S-(4-Methoxybenzylmercapto)isovaleric acid, K-6884, J-016561, C13H18O3S, CID7019755, 3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-butanoic Acid,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.098g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.344g/mol
Monoisotopic Mass	254.098g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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