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Home > Other Heterocycles > 174-80-1
174-80-1 | 2-Oxa-6-thiaspiro[3.3]heptane (6CI,7CI,8CI,9CI)
CAS No: 174-80-1 Catalog No: AG001ZDB MDL No:
Product Description
Catalog Number:
AG001ZDB
Chemical Name:
2-Oxa-6-thiaspiro[3.3]heptane (6CI,7CI,8CI,9CI)
CAS Number:
174-80-1
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
IUPAC Name:
6-oxa-2-thiaspiro[3.3]heptane
InChI:
InChI=1S/C5H8OS/c1-5(2-6-1)3-7-4-5/h1-4H2
InChI Key:
SNUILXWRUPARSS-UHFFFAOYSA-N
SMILES:
O1CC2(C1)CSC2
Properties
Complexity:
82.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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