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82925-86-8 | 1,3,2-Dioxathiane, 5-(chloromethyl)-5-methyl-, 2-oxide
CAS No: 82925-86-8 Catalog No: AG00549Q MDL No:
Product Description
Catalog Number:
AG00549Q
Chemical Name:
1,3,2-Dioxathiane, 5-(chloromethyl)-5-methyl-, 2-oxide
CAS Number:
82925-86-8
Molecular Formula:
C5H9ClO3S
Molecular Weight:
184.6412
IUPAC Name:
5-(chloromethyl)-5-methyl-1,3,2-dioxathiane 2-oxide
InChI:
InChI=1S/C5H9ClO3S/c1-5(2-6)3-8-10(7)9-4-5/h2-4H2,1H3
InChI Key:
QXZIBMDZWZBAOV-UHFFFAOYSA-N
SMILES:
ClCC1(C)COS(=O)OC1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.996g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.634g/mol
Monoisotopic Mass:
183.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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