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Home > Other Heterocycles > 162515-66-4
162515-66-4 | 5-Thiaspiro[2.4]heptan-6-one
CAS No: 162515-66-4 Catalog No: AG001T82 MDL No:
Product Description
Catalog Number:
AG001T82
Chemical Name:
5-Thiaspiro[2.4]heptan-6-one
CAS Number:
162515-66-4
Molecular Formula:
C6H8OS
Molecular Weight:
128.1921
IUPAC Name:
5-thiaspiro[2.4]heptan-6-one
InChI:
InChI=1S/C6H8OS/c7-5-3-6(1-2-6)4-8-5/h1-4H2
InChI Key:
RLQTWVHIEDBLNJ-UHFFFAOYSA-N
SMILES:
O=C1SCC2(C1)CC2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.03g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.189g/mol
Monoisotopic Mass:
128.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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