AG01E836

Name: 3-methylbutan-2-yl 4-methylbenzene-1-sulfonate
Brand: Angene Chemical
SKU: AG01E836

26466-06-8 | 3-methylbutan-2-yl 4-methylbenzene-1-sulfonate

AG01E836

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CAS Number	26466-06-8
Catalog Number	AG01E836(AGN-PC-0O8F5Y)
Chemical Name	3-methylbutan-2-yl 4-methylbenzene-1-sulfonate
IUPAC Name	3-methylbutan-2-yl 4-methylbenzenesulfonate
InChI	InChI=1S/C12H18O3S/c1-9(2)11(4)15-16(13,14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
InChI Key	YFRJBSSHABTVOA-UHFFFAOYSA-N
MDL Number	MFCD27948431
Molecular Formula	C12H18O3S
Molecular Weight	242.3345
SMILES	CC(C(OS(C1=CC=C(C)C=C1)(=O)=O)C)C
Synonyms	2-Butanol, 3-methyl-, 2-(4-methylbenzenesulfonate), SCHEMBL1629581, 26466-06-8, p-Toluenesulfonic acid 1,2-dimethylpropyl ester,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.098g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.333g/mol
Monoisotopic Mass	242.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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