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113918-48-2 | 1,2-Oxathiolane, 5-phenyl-, 2,2-dioxide
CAS No: 113918-48-2 Catalog No: AG000A2H MDL No:
Product Description
Catalog Number:
AG000A2H
Chemical Name:
1,2-Oxathiolane, 5-phenyl-, 2,2-dioxide
CAS Number:
113918-48-2
Molecular Formula:
C9H10O3S
Molecular Weight:
198.2389
IUPAC Name:
5-phenyloxathiolane 2,2-dioxide
InChI:
InChI=1S/C9H10O3S/c10-13(11)7-6-9(12-13)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChI Key:
XOIITSNFWVWVJY-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(O1)c1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.236g/mol
Monoisotopic Mass:
198.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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