AG00CK3E

Name: 3-phenylpropyl 4-methylbenzene-1-sulfonate
Brand: Angene Chemical
SKU: AG00CK3E

3742-75-4 | 3-phenylpropyl 4-methylbenzene-1-sulfonate

AG00CK3E

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CAS Number	3742-75-4
Catalog Number	AG00CK3E(AGN-PC-0O9FXJ)
Chemical Name	3-phenylpropyl 4-methylbenzene-1-sulfonate
IUPAC Name	3-phenylpropyl 4-methylbenzenesulfonate
InChI	InChI=1S/C16H18O3S/c1-14-9-11-16(12-10-14)20(17,18)19-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3
InChI Key	PNTNYXPTUOOGOK-UHFFFAOYSA-N
MDL Number	MFCD00159241
Molecular Formula	C16H18O3S
Molecular Weight	290.3773
SMILES	CC1=CC=C(C=C1)S(=O)(=O)OCCCC1=CC=CC=C1
Synonyms	3-PHENYLPROPYL 4-METHYLBENZENESULFONATE, 3742-75-4, 3-phenylpropyl p-toluenesulfonate, ARONIS23916, phenylpropyl p-toluenesulfonate, SCHEMBL7028389, C16H18O3S, CTK6B9365, DTXSID80451036, PNTNYXPTUOOGOK-UHFFFAOYSA-N, ZINC4800761, 1872AE, SBB080469, AKOS005111035, AJ-52323, p-Toluenesulfonic acid hydrocinnamyl ester, 3-phenylpropyl 4-methylbenzene-1-sulfonate, TR-065751, CID10989921, 1-methyl-4-(3-phenylpropoxysulfonyl)benzene,

Complexity	358
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	290.098g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.377g/mol
Monoisotopic Mass	290.098g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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