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19955-28-3 | 1,2-Oxathiolan-5-one, 2-oxide
CAS No: 19955-28-3 Catalog No: AG002C6K MDL No:
Product Description
Catalog Number:
AG002C6K
Chemical Name:
1,2-Oxathiolan-5-one, 2-oxide
CAS Number:
19955-28-3
Molecular Formula:
C3H4O3S
Molecular Weight:
120.1271
IUPAC Name:
2-oxooxathiolan-5-one
InChI:
InChI=1S/C3H4O3S/c4-3-1-2-7(5)6-3/h1-2H2
InChI Key:
BULWHBVIPLVFMY-UHFFFAOYSA-N
SMILES:
O=C1CCS(=O)O1
NSC Number:
179319
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.988g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.122g/mol
Monoisotopic Mass:
119.988g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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