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Home > Other Heterocycles > 21849-30-9
21849-30-9 | 2-(benzenesulfinyl)-1-oxaspiro[2.5]octane
CAS No: 21849-30-9 Catalog No: AG006Z4A MDL No:
Product Description
Catalog Number:
AG006Z4A
Chemical Name:
2-(benzenesulfinyl)-1-oxaspiro[2.5]octane
CAS Number:
21849-30-9
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
IUPAC Name:
2-(benzenesulfinyl)-1-oxaspiro[2.5]octane
InChI:
InChI=1S/C13H16O2S/c14-16(11-7-3-1-4-8-11)12-13(15-12)9-5-2-6-10-13/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
UDXFWGDPJGWYNJ-UHFFFAOYSA-N
SMILES:
O=S(C1OC21CCCCC2)c1ccccc1
NSC Number:
170767
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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