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88176-42-5 | 1,3-Cyclohexanedione, 5-(2-ethoxy-4,6-dimethylphenyl)-
CAS No: 88176-42-5 Catalog No: AG004CMT MDL No:
Product Description
Catalog Number:
AG004CMT
Chemical Name:
1,3-Cyclohexanedione, 5-(2-ethoxy-4,6-dimethylphenyl)-
CAS Number:
88176-42-5
Molecular Formula:
C16H20O3
Molecular Weight:
260.3282
IUPAC Name:
5-(2-ethoxy-4,6-dimethylphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C16H20O3/c1-4-19-15-6-10(2)5-11(3)16(15)12-7-13(17)9-14(18)8-12/h5-6,12H,4,7-9H2,1-3H3
InChI Key:
ZRISWRLNMVXZDU-UHFFFAOYSA-N
SMILES:
CCOc1cc(C)cc(c1C1CC(=O)CC(=O)C1)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.141g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.333g/mol
Monoisotopic Mass:
260.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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