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Home > Other Heterocycles > 87142-57-2
87142-57-2 | Ethanone, 1-[6-(acetyloxy)-4-methylbicyclo[2.2.2]oct-5-en-2-yl]-
CAS No: 87142-57-2 Catalog No: AG004KLU MDL No:
Product Description
Catalog Number:
AG004KLU
Chemical Name:
Ethanone, 1-[6-(acetyloxy)-4-methylbicyclo[2.2.2]oct-5-en-2-yl]-
CAS Number:
87142-57-2
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
(6-acetyl-4-methyl-2-bicyclo[2.2.2]oct-2-enyl) acetate
InChI:
InChI=1S/C13H18O3/c1-8(14)11-6-13(3)5-4-10(11)12(7-13)16-9(2)15/h7,10-11H,4-6H2,1-3H3
InChI Key:
SMZHIQPVEIIXEJ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CC2(C)CCC1C(C2)C(=O)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.284g/mol
Monoisotopic Mass:
222.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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