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Home > Other Heterocycles > 114627-98-4
114627-98-4 | 7-Oxa-1,5-dithiaspiro[5.5]undecane, 11-methyl-
CAS No: 114627-98-4 Catalog No: AG000EUY MDL No:
Product Description
Catalog Number:
AG000EUY
Chemical Name:
7-Oxa-1,5-dithiaspiro[5.5]undecane, 11-methyl-
CAS Number:
114627-98-4
Molecular Formula:
C9H16OS2
Molecular Weight:
204.3527
IUPAC Name:
11-methyl-7-oxa-1,5-dithiaspiro[5.5]undecane
InChI:
InChI=1S/C9H16OS2/c1-8-4-2-5-10-9(8)11-6-3-7-12-9/h8H,2-7H2,1H3
InChI Key:
FOTOPGSTWRPGFP-UHFFFAOYSA-N
SMILES:
CC1CCCOC21SCCCS2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.346g/mol
Monoisotopic Mass:
204.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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