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Home Sulfos Methanesulfonic acid, 1-methylpropyl ester

Methanesulfonic acid, 1-methylpropyl ester

CAS No.:
16156-54-0
Catalog Number:
AG000PWE
Molecular Formula:
C5H12O3S
Molecular Weight:
152.2120
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$125
- +
5g
97%
In Stock USA
United States
$375
- +
10g
97%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG000PWE
Chemical Name:
Methanesulfonic acid, 1-methylpropyl ester
CAS Number:
16156-54-0
Molecular Formula:
C5H12O3S
Molecular Weight:
152.2120
MDL Number:
MFCD01715284
IUPAC Name:
butan-2-yl methanesulfonate
InChI:
InChI=1S/C5H12O3S/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3
InChI Key:
BQWQGEBNCNNFCI-UHFFFAOYSA-N
SMILES:
CCC(OS(=O)(=O)C)C
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.051g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.208g/mol
Monoisotopic Mass:
152.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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