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Home > Other Heterocycles > 189744-32-9
189744-32-9 | Bicyclo[5.3.1]undec-8-en-11-one, 8-(acetyloxy)-
CAS No: 189744-32-9 Catalog No: AG002DWY MDL No:
Product Description
Catalog Number:
AG002DWY
Chemical Name:
Bicyclo[5.3.1]undec-8-en-11-one, 8-(acetyloxy)-
CAS Number:
189744-32-9
Molecular Formula:
C13H18O3
Molecular Weight:
222.2802
IUPAC Name:
(11-oxo-8-bicyclo[5.3.1]undec-8-enyl) acetate
InChI:
InChI=1S/C13H18O3/c1-9(14)16-12-8-7-10-5-3-2-4-6-11(12)13(10)15/h8,10-11H,2-7H2,1H3
InChI Key:
WWJFDFZKOZMEHF-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=CCC2C(=O)C1CCCCC2
Properties
Complexity:
330
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:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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