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Home > Other Heterocycles > 947534-48-7
947534-48-7 | 1-OXA-5-THIA-SPIRO[5.5]UNDECAN-9-ONE
CAS No: 947534-48-7 Catalog No: AG006SBQ MDL No:
Product Description
Catalog Number:
AG006SBQ
Chemical Name:
1-OXA-5-THIA-SPIRO[5.5]UNDECAN-9-ONE
CAS Number:
947534-48-7
Molecular Formula:
C9H14O2S
Molecular Weight:
186.2713
IUPAC Name:
1-oxa-5-thiaspiro[5.5]undecan-9-one
InChI:
InChI=1S/C9H14O2S/c10-8-2-4-9(5-3-8)11-6-1-7-12-9/h1-7H2
InChI Key:
VHYVSIPLXDPODL-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CC1)OCCCS2
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.269g/mol
Monoisotopic Mass:
186.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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