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Home > Other Heterocycles > 98204-53-6
98204-53-6 | 1-Oxa-4-thiaspiro[4.5]decane, 3-phenyl-
CAS No: 98204-53-6 Catalog No: AG00691X MDL No:
Product Description
Catalog Number:
AG00691X
Chemical Name:
1-Oxa-4-thiaspiro[4.5]decane, 3-phenyl-
CAS Number:
98204-53-6
Molecular Formula:
C14H18OS
Molecular Weight:
234.3571
IUPAC Name:
3-phenyl-1-oxa-4-thiaspiro[4.5]decane
InChI:
InChI=1S/C14H18OS/c1-3-7-12(8-4-1)13-11-15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8,13H,2,5-6,9-11H2
InChI Key:
NONKJJKJTGMGLU-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)OCC(S2)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.357g/mol
Monoisotopic Mass:
234.108g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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