AG003U12

3386-35-4 | p-Toluenesulfonic acid n-octyl ester

AG003U12

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CAS Number	3386-35-4
Catalog Number	AG003U12(AGN-PC-00GVEO)
Chemical Name	p-Toluenesulfonic acid n-octyl ester
IUPAC Name	octyl 4-methylbenzenesulfonate
InChI	InChI=1S/C15H24O3S/c1-3-4-5-6-7-8-13-18-19(16,17)15-11-9-14(2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChI Key	LYQJBZLAANNIER-UHFFFAOYSA-N
MDL Number	MFCD00059447
Molecular Formula	C15H24O3S
Molecular Weight	284.4143
SMILES	O=S(C1=CC=C(C)C=C1)(OCCCCCCCC)=O
Synonyms	3386-35-4, n-Octyl p-Toluenesulfonate, p-Toluenesulfonic Acid n-Octyl Ester, Octyl 4-methylbenzenesulfonate, octyl p-toluenesulfonate, LYQJBZLAANNIER-UHFFFAOYSA-N, n-Octyl-p-toluolsulfonat, AC1LCCQ4, ACMC-209i3h, p-Toluenesulfonic acid octyl, SCHEMBL345885, CTK8B1485, Octyl 4-methylbenzenesulfonate #, DTXSID70344766, ZINC2522830, ANW-27723, MFCD00059447, VZ33575, DB-048507, TC-116468, Benzenesulfonic acid,4-methyl-, octyl ester, FT-0634817, Benzenesulfonic acid, 4-methyl-, octyl ester, CID599296, T0885,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.145g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.414g/mol
Monoisotopic Mass	284.145g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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