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88176-32-3 | 1,3-Cyclohexanedione, 5-(3-ethyl-2,4,5,6-tetramethylphenyl)-
CAS No: 88176-32-3 Catalog No: AG004CMW MDL No:
Product Description
Catalog Number:
AG004CMW
Chemical Name:
1,3-Cyclohexanedione, 5-(3-ethyl-2,4,5,6-tetramethylphenyl)-
CAS Number:
88176-32-3
Molecular Formula:
C18H24O2
Molecular Weight:
272.3820
IUPAC Name:
5-(3-ethyl-2,4,5,6-tetramethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C18H24O2/c1-6-17-11(3)10(2)12(4)18(13(17)5)14-7-15(19)9-16(20)8-14/h14H,6-9H2,1-5H3
InChI Key:
JTYANCGMCUHKRI-UHFFFAOYSA-N
SMILES:
CCc1c(C)c(C2CC(=O)CC(=O)C2)c(c(c1C)C)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:
272.178g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.388g/mol
Monoisotopic Mass:
272.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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