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Home > Other Heterocycles > 180-95-0
180-95-0 | 1-Oxa-5-thiaspiro[5.5]undecane (6CI,7CI,8CI,9CI)
CAS No: 180-95-0 Catalog No: AG0021KF MDL No:
Product Description
Catalog Number:
AG0021KF
Chemical Name:
1-Oxa-5-thiaspiro[5.5]undecane (6CI,7CI,8CI,9CI)
CAS Number:
180-95-0
Molecular Formula:
C9H16OS
Molecular Weight:
172.2877
IUPAC Name:
1-oxa-5-thiaspiro[5.5]undecane
InChI:
InChI=1S/C9H16OS/c1-2-5-9(6-3-1)10-7-4-8-11-9/h1-8H2
InChI Key:
CVVUHCLOWORHHO-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)OCCCS2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.092g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.286g/mol
Monoisotopic Mass:
172.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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