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88925-97-7 | 1,3-Cyclohexanedione, 5-(4-cycloocten-1-yl)-2-(1-oxobutyl)-
CAS No: 88925-97-7 Catalog No: AG0048VL MDL No:
Product Description
Catalog Number:
AG0048VL
Chemical Name:
1,3-Cyclohexanedione, 5-(4-cycloocten-1-yl)-2-(1-oxobutyl)-
CAS Number:
88925-97-7
Molecular Formula:
C18H26O3
Molecular Weight:
290.3972
IUPAC Name:
2-butanoyl-5-cyclooct-4-en-1-ylcyclohexane-1,3-dione
InChI:
InChI=1S/C18H26O3/c1-2-8-15(19)18-16(20)11-14(12-17(18)21)13-9-6-4-3-5-7-10-13/h3-4,13-14,18H,2,5-12H2,1H3
InChI Key:
VPRWHPNHUOOMLI-UHFFFAOYSA-N
SMILES:
CCCC(=O)C1C(=O)CC(CC1=O)C1CCCC=CCC1
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.188g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.403g/mol
Monoisotopic Mass:
290.188g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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