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Home > Other Heterocycles > 909565-03-3
909565-03-3 | Bicyclo[3.1.0]hexan-2-one, 1-[(2,4-dimethylphenyl)sulfonyl]-, (1R,5R)-
CAS No: 909565-03-3 Catalog No: AG006SMM MDL No:
Product Description
Catalog Number:
AG006SMM
Chemical Name:
Bicyclo[3.1.0]hexan-2-one, 1-[(2,4-dimethylphenyl)sulfonyl]-, (1R,5R)-
CAS Number:
909565-03-3
Molecular Formula:
C14H16O3S
Molecular Weight:
264.3400
IUPAC Name:
(1R,5R)-1-(2,4-dimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C14H16O3S/c1-9-3-5-12(10(2)7-9)18(16,17)14-8-11(14)4-6-13(14)15/h3,5,7,11H,4,6,8H2,1-2H3/t11-,14-/m1/s1
InChI Key:
XOHMOECNCBLWSJ-BXUZGUMPSA-N
SMILES:
Cc1ccc(c(c1)C)S(=O)(=O)[C@@]12C[C@H]2CCC1=O
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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