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Home > Other Heterocycles > 510730-02-6
510730-02-6 | Bicyclo[3.1.0]hexan-2-one, 1-(phenylsulfonyl)-, (1R,5R)-
CAS No: 510730-02-6 Catalog No: AG006TZE MDL No:
Product Description
Catalog Number:
AG006TZE
Chemical Name:
Bicyclo[3.1.0]hexan-2-one, 1-(phenylsulfonyl)-, (1R,5R)-
CAS Number:
510730-02-6
Molecular Formula:
C12H12O3S
Molecular Weight:
236.2869
IUPAC Name:
(1R,5R)-1-(benzenesulfonyl)bicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C12H12O3S/c13-11-7-6-9-8-12(9,11)16(14,15)10-4-2-1-3-5-10/h1-5,9H,6-8H2/t9-,12-/m1/s1
InChI Key:
XJBBOFICFPLANE-BXKDBHETSA-N
SMILES:
O=C1CC[C@H]2[C@@]1(C2)S(=O)(=O)c1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
236.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.285g/mol
Monoisotopic Mass:
236.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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