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Home Sulfos Methanesulfonic acid, 2-phenylethyl ester

Methanesulfonic acid, 2-phenylethyl ester

CAS No.:
20020-27-3
Catalog Number:
AG002CLS
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
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Product Description
Catalog Number:
AG002CLS
Chemical Name:
Methanesulfonic acid, 2-phenylethyl ester
CAS Number:
20020-27-3
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD01715258
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
SMILES:
CS(=O)(=O)OCCc1ccccc1
Properties
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  
Literature
Title Journal
On the role of alkylating mechanisms, O-alkylation and DNA-repair in genotoxicity and mutagenicity of alkylating methanesulfonates of widely varying structures in bacterial systems. Chemico-biological interactions 20010731
Properties