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Home > Other Heterocycles > 87142-55-0
87142-55-0 | Ethanone, 1-[4-(acetyloxy)-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-
CAS No: 87142-55-0 Catalog No: AG004TAK MDL No:
Product Description
Catalog Number:
AG004TAK
Chemical Name:
Ethanone, 1-[4-(acetyloxy)-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-
CAS Number:
87142-55-0
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
(5-acetyl-3-methyl-1-bicyclo[2.2.2]oct-2-enyl) acetate
InChI:
InChI=1S/C13H18O3/c1-8-6-13(16-10(3)15)5-4-11(8)12(7-13)9(2)14/h6,11-12H,4-5,7H2,1-3H3
InChI Key:
PQGLXIQPZDCZQF-UHFFFAOYSA-N
SMILES:
CC(=O)OC12CCC(C(=C1)C)C(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:
0.9
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