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Home > Other Heterocycles > 7233-43-4
7233-43-4 | 6,10,10-trimethyl-2-(4-methylphenyl)sulfonyloxy-bicyclo[7.2.0]undec-5-ene
CAS No: 7233-43-4 Catalog No: AG0067FF MDL No:
Product Description
Catalog Number:
AG0067FF
Chemical Name:
6,10,10-trimethyl-2-(4-methylphenyl)sulfonyloxy-bicyclo[7.2.0]undec-5-ene
CAS Number:
7233-43-4
Molecular Formula:
C21H30O3S
Molecular Weight:
362.5261
IUPAC Name:
(6,10,10-trimethyl-2-bicyclo[7.2.0]undec-5-enyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C21H30O3S/c1-15-6-5-7-20(18-14-21(3,4)19(18)13-10-15)24-25(22,23)17-11-8-16(2)9-12-17/h6,8-9,11-12,18-20H,5,7,10,13-14H2,1-4H3
InChI Key:
BKSAGGSLOVCNEM-UHFFFAOYSA-N
SMILES:
CC1=CCCC(C2C(CC1)C(C2)(C)C)OS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.192g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.528g/mol
Monoisotopic Mass:
362.192g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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