Home Sulfos ethyl phenylmethanesulfonate

ethyl phenylmethanesulfonate

CAS No.:
42454-54-6
Catalog Number:
AG01B7FP
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
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Product Description
Catalog Number:
AG01B7FP
Chemical Name:
ethyl phenylmethanesulfonate
CAS Number:
42454-54-6
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD30344755
IUPAC Name:
ethyl phenylmethanesulfonate
InChI:
InChI=1S/C9H12O3S/c1-2-12-13(10,11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
ANNNGOUEZBONHD-UHFFFAOYSA-N
SMILES:
CCOS(=O)(=O)Cc1ccccc1
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:
1.5  
Literature
Title Journal
In vitro induction of micronuclei by monofunctional methanesulphonic acid esters: possible role of alkylation mechanisms. Chemico-biological interactions 20061201
Properties