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Home > Other Heterocycles > 89211-06-3
89211-06-3 | Spiro[bicyclo[2.2.1]heptane-2,2'-oxirane], 3'-(phenylsulfonyl)-
CAS No: 89211-06-3 Catalog No: AG00463X MDL No:
Product Description
Catalog Number:
AG00463X
Chemical Name:
Spiro[bicyclo[2.2.1]heptane-2,2'-oxirane], 3'-(phenylsulfonyl)-
CAS Number:
89211-06-3
Molecular Formula:
C14H16O3S
Molecular Weight:
264.3400
IUPAC Name:
3'-(benzenesulfonyl)spiro[bicyclo[2.2.1]heptane-2,2'-oxirane]
InChI:
InChI=1S/C14H16O3S/c15-18(16,12-4-2-1-3-5-12)13-14(17-13)9-10-6-7-11(14)8-10/h1-5,10-11,13H,6-9H2
InChI Key:
CGRCNOGGLVDXLR-UHFFFAOYSA-N
SMILES:
O=S(=O)(C1OC21CC1CC2CC1)c1ccccc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.339g/mol
Monoisotopic Mass:
264.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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