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Home > Other Heterocycles > 923001-92-7
923001-92-7 | Bicyclo[3.1.0]hexan-2-one, 1-[(2,3-dimethylphenyl)sulfonyl]-, (1R,5R)-
CAS No: 923001-92-7 Catalog No: AG00699D MDL No:
Product Description
Catalog Number:
AG00699D
Chemical Name:
Bicyclo[3.1.0]hexan-2-one, 1-[(2,3-dimethylphenyl)sulfonyl]-, (1R,5R)-
CAS Number:
923001-92-7
Molecular Formula:
C14H16O3S
Molecular Weight:
264.3400
IUPAC Name:
(1R,5R)-1-(2,3-dimethylphenyl)sulfonylbicyclo[3.1.0]hexan-2-one
InChI:
InChI=1S/C14H16O3S/c1-9-4-3-5-12(10(9)2)18(16,17)14-8-11(14)6-7-13(14)15/h3-5,11H,6-8H2,1-2H3/t11-,14-/m1/s1
InChI Key:
TVTPVDYUKQMMIS-BXUZGUMPSA-N
SMILES:
O=C1CC[C@H]2[C@@]1(C2)S(=O)(=O)c1cccc(c1C)C
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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