AG0083G9

Name: 3-(Benzylsulfanyl)-2-methylpropanoic acid
Brand: Angene Chemical
SKU: AG0083G9

106664-91-9 | 3-(Benzylsulfanyl)-2-methylpropanoic acid

AG0083G9

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CAS Number	106664-91-9
Catalog Number	AG0083G9(AGN-PC-03V4M7)
Chemical Name	3-(Benzylsulfanyl)-2-methylpropanoic acid
IUPAC Name	3-benzylsulfanyl-2-methylpropanoic acid
InChI	InChI=1S/C11H14O2S/c1-9(11(12)13)7-14-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)
InChI Key	KARSURQOGRNRLB-UHFFFAOYSA-N
MDL Number	MFCD12132655
Molecular Formula	C11H14O2S
Molecular Weight	210.2927
SMILES	CC(C(O)=O)CSCC1=CC=CC=C1
Synonyms	3-(benzylsulfanyl)-2-methylpropanoic acid, 106664-91-9, Propanoic acid, 2-methyl-3-[(phenylmethyl)thio]-, ACMC-20mad9, SCHEMBL1741031, CTK0D7066, DTXSID40446069, KARSURQOGRNRLB-UHFFFAOYSA-N, 3-benzylthio-2-methylpropanoic acid, 3-benzylthio-2-methyl propanoic acid, AKOS009569472, 2-Methyl-3-(benzylthio)propionic acid, MCULE-6035407655, NE21788, 3-BENZYLTHIO-2-METHYLPROPIONIC ACID, Z1695907448, CID10856751, 3-benzylsulfanyl-2-methyl-propanoic Acid,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.071g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.291g/mol
Monoisotopic Mass	210.071g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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