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4426-51-1 | 4-methyl-1,3,2-dioxathiane 2-oxide
CAS No: 4426-51-1 Catalog No: AG003LPC MDL No:MFCD00023836
Product Description
Catalog Number:
AG003LPC
Chemical Name:
4-methyl-1,3,2-dioxathiane 2-oxide
CAS Number:
4426-51-1
Molecular Formula:
C4H8O3S
Molecular Weight:
136.1695
MDL Number:
MFCD00023836
IUPAC Name:
4-methyl-1,3,2-dioxathiane 2-oxide
InChI:
InChI=1S/C4H8O3S/c1-4-2-3-6-8(5)7-4/h4H,2-3H2,1H3
InChI Key:
WGMZCGUVEQNCCE-UHFFFAOYSA-N
SMILES:
CC1CCOS(=O)O1
EC Number:
224-608-2
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.019g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.165g/mol
Monoisotopic Mass:
136.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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