AG003NPY

4873-09-0 | Allyl P-Toluenesulfonate

AG003NPY

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CAS Number	4873-09-0
Catalog Number	AG003NPY(AGN-PC-0WACFC)
Chemical Name	Allyl P-Toluenesulfonate
EC Number	225-480-0
IUPAC Name	prop-2-enyl 4-methylbenzenesulfonate
InChI	InChI=1S/C10H12O3S/c1-3-8-13-14(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3
InChI Key	ZSBJCQGJFPHZRC-UHFFFAOYSA-N
MDL Number	MFCD00093777
Molecular Formula	C10H12O3S
Molecular Weight	212.2655
SMILES	O=S(C1=CC=C(C)C=C1)(OCC=C)=O
Synonyms	4873-09-0, allyl 4-methylbenzenesulfonate, ALLYL TOLUENE-4-SULFONATE, Allyl p-toluenesulphonate, allyl-p-toluene sulphonate, Allyl p-toluenesulfonate, Allyltoluene-4-sulfonate, allyl tosylate, EINECS 225-480-0, ACMC-1APYO, AC1Q6XWK, allyl p-toluene sulfonate, AC1L2VK1, p-Toluenesulfonic acid allyl, SCHEMBL169846, CTK1D6209, DTXSID40197600, ZSBJCQGJFPHZRC-UHFFFAOYSA-N, ZINC2173395, prop-2-enyl 4-methylbenzenesulfonate, AKOS005259439, FCH1321797, QC-4177, CC-23889, AB0095608, AB1008317, Allyl p-toluenesulfonate, >=95.0% (GC), DB-007243, TR-017733, FT-0080948, FT-0635466, C-27248, Benzenesulfonic acid, 4-methyl-, 2-propen-1-yl ester, null, CID78587, AR-1H6755, C10-H12-O3-S, Benzenesulfonic acid, 4-methyl-, 2-propenyl ester, 512-04-9,

Complexity	268
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.051g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.263g/mol
Monoisotopic Mass	212.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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