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Home > Other Heterocycles > 1564-39-2
1564-39-2 | 1-Oxa-4-thiaspiro[4.5]decan-2-one
CAS No: 1564-39-2 Catalog No: AG001OQ4 MDL No:
Product Description
Catalog Number:
AG001OQ4
Chemical Name:
1-Oxa-4-thiaspiro[4.5]decan-2-one
CAS Number:
1564-39-2
Molecular Formula:
C8H12O2S
Molecular Weight:
172.2447
IUPAC Name:
1-oxa-4-thiaspiro[4.5]decan-2-one
InChI:
InChI=1S/C8H12O2S/c9-7-6-11-8(10-7)4-2-1-3-5-8/h1-6H2
InChI Key:
BWHAFZXYCVTNQI-UHFFFAOYSA-N
SMILES:
O=C1CSC2(O1)CCCCC2
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.242g/mol
Monoisotopic Mass:
172.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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