AG002CLS

20020-27-3 | Methanesulfonic acid, 2-phenylethyl ester

AG002CLS

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CAS Number	20020-27-3
Catalog Number	AG002CLS(AGN-PC-00EOVX)
Chemical Name	Methanesulfonic acid, 2-phenylethyl ester
IUPAC Name	2-phenylethyl methanesulfonate
InChI	InChI=1S/C9H12O3S/c1-13(10,11)12-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChI Key	NCLPKLKVZDQOFW-UHFFFAOYSA-N
MDL Number	MFCD01715258
Molecular Formula	C9H12O3S
Molecular Weight	200.2548
SMILES	CS(=O)(OCCC1=CC=CC=C1)=O
Synonyms	Phenethyl methanesulfonate, 20020-27-3, Phenethyl mesylate, Methanesulfonic acid, 2-phenylethyl ester, 2-Phenylethyl methanesulfonate, 2-Phenylethyl methanesulphonate, Methanesulfonic acid, phenethyl ester, BRN 2522079, methanesulfonic acid phenethyl ester, phenylethyl methanesulfonate, phenylethyl methansulfonate, AC1L3TP8, SCHEMBL6589802, KS-00000RNW, DTXSID00173844, NCLPKLKVZDQOFW-UHFFFAOYSA-N, ZINC6019501, MFCD01715258, AKOS022171938, DS-5379, AJ-55502, AK136320, LS-90345, ST24048897, C9-H12-O3-S, CID146679,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.051g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.252g/mol
Monoisotopic Mass	200.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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