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88176-27-6 | 1,3-Cyclohexanedione, 5-(6-ethyl-2,3,4-trimethylphenyl)-
CAS No: 88176-27-6 Catalog No: AG004F03 MDL No:
Product Description
Catalog Number:
AG004F03
Chemical Name:
1,3-Cyclohexanedione, 5-(6-ethyl-2,3,4-trimethylphenyl)-
CAS Number:
88176-27-6
Molecular Formula:
C17H22O2
Molecular Weight:
258.3554
IUPAC Name:
5-(6-ethyl-2,3,4-trimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C17H22O2/c1-5-13-6-10(2)11(3)12(4)17(13)14-7-15(18)9-16(19)8-14/h6,14H,5,7-9H2,1-4H3
InChI Key:
YRIZJZJQRFHLEP-UHFFFAOYSA-N
SMILES:
CCc1cc(C)c(c(c1C1CC(=O)CC(=O)C1)C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.162g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.361g/mol
Monoisotopic Mass:
258.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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