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Home > Other Heterocycles > 88926-05-0
88926-05-0 | 1,3-Cyclohexanedione, 5-bicyclo[2.2.1]hept-2-yl-2-(1-oxobutyl)-
CAS No: 88926-05-0 Catalog No: AG0048VK MDL No:
Product Description
Catalog Number:
AG0048VK
Chemical Name:
1,3-Cyclohexanedione, 5-bicyclo[2.2.1]hept-2-yl-2-(1-oxobutyl)-
CAS Number:
88926-05-0
Molecular Formula:
C17H24O3
Molecular Weight:
276.3707
IUPAC Name:
5-(2-bicyclo[2.2.1]heptanyl)-2-butanoylcyclohexane-1,3-dione
InChI:
InChI=1S/C17H24O3/c1-2-3-14(18)17-15(19)8-12(9-16(17)20)13-7-10-4-5-11(13)6-10/h10-13,17H,2-9H2,1H3
InChI Key:
JLOJYCYWBDFVEB-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1C(=O)CC(CC1=O)C1CC2CC1CC2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.376g/mol
Monoisotopic Mass:
276.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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