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Home > Other Heterocycles > 20051-55-2
20051-55-2 | 1,4-Dioxaspiro[4.5]decane-7-thiol
CAS No: 20051-55-2 Catalog No: AG002CTE MDL No:
Product Description
Catalog Number:
AG002CTE
Chemical Name:
1,4-Dioxaspiro[4.5]decane-7-thiol
CAS Number:
20051-55-2
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
IUPAC Name:
1,4-dioxaspiro[4.5]decane-7-thiol
InChI:
InChI=1S/C8H14O2S/c11-7-2-1-3-8(6-7)9-4-5-10-8/h7,11H,1-6H2
InChI Key:
AFDISGSZQRWQPW-UHFFFAOYSA-N
SMILES:
SC1CCCC2(C1)OCCO2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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