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88176-23-2 | 1,3-Cyclohexanedione, 5-(3-butyl-2,4,6-trimethylphenyl)-
CAS No: 88176-23-2 Catalog No: AG004CN0 MDL No:
Product Description
Catalog Number:
AG004CN0
Chemical Name:
1,3-Cyclohexanedione, 5-(3-butyl-2,4,6-trimethylphenyl)-
CAS Number:
88176-23-2
Molecular Formula:
C19H26O2
Molecular Weight:
286.4085
IUPAC Name:
5-(3-butyl-2,4,6-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C19H26O2/c1-5-6-7-18-12(2)8-13(3)19(14(18)4)15-9-16(20)11-17(21)10-15/h8,15H,5-7,9-11H2,1-4H3
InChI Key:
QUIMFZKYKJVROG-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)cc(c(c1C)C1CC(=O)CC(=O)C1)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.193g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.415g/mol
Monoisotopic Mass:
286.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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