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Home > Other Heterocycles > 173383-41-0
173383-41-0 | 1,4-Dioxaspiro[4.5]dec-6-en-8-one, 10-(phenylthio)-
CAS No: 173383-41-0 Catalog No: AG001YUH MDL No:
Product Description
Catalog Number:
AG001YUH
Chemical Name:
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 10-(phenylthio)-
CAS Number:
173383-41-0
Molecular Formula:
C14H14O3S
Molecular Weight:
262.3242
IUPAC Name:
6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
InChI:
InChI=1S/C14H14O3S/c15-11-6-7-14(16-8-9-17-14)13(10-11)18-12-4-2-1-3-5-12/h1-7,13H,8-10H2
InChI Key:
UCZZXVCKCKYUEN-UHFFFAOYSA-N
SMILES:
O=C1C=CC2(C(C1)Sc1ccccc1)OCCO2
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.066g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.323g/mol
Monoisotopic Mass:
262.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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