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10099-13-5 | 2H-Thiopyran-3(6H)-one, 5-ethoxy-, 1,1-dioxide
CAS No: 10099-13-5 Catalog No: AG0003EK MDL No:
Product Description
Catalog Number:
AG0003EK
Chemical Name:
2H-Thiopyran-3(6H)-one, 5-ethoxy-, 1,1-dioxide
CAS Number:
10099-13-5
Molecular Formula:
C7H10O4S
Molecular Weight:
190.2169
IUPAC Name:
3-ethoxy-1,1-dioxo-2H-thiopyran-5-one
InChI:
InChI=1S/C7H10O4S/c1-2-11-7-3-6(8)4-12(9,10)5-7/h3H,2,4-5H2,1H3
InChI Key:
ZIOKXANPRJYNFB-UHFFFAOYSA-N
SMILES:
CCOC1=CC(=O)CS(=O)(=O)C1
NSC Number:
77397
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.213g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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