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88176-30-1 | 1,3-Cyclohexanedione, 5-(2,4,6-trimethoxyphenyl)-
CAS No: 88176-30-1 Catalog No: AG004CIK MDL No:
Product Description
Catalog Number:
AG004CIK
Chemical Name:
1,3-Cyclohexanedione, 5-(2,4,6-trimethoxyphenyl)-
CAS Number:
88176-30-1
Molecular Formula:
C15H18O5
Molecular Weight:
278.3004
IUPAC Name:
5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C15H18O5/c1-18-12-7-13(19-2)15(14(8-12)20-3)9-4-10(16)6-11(17)5-9/h7-9H,4-6H2,1-3H3
InChI Key:
LGLRATQVXOKFBD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1C1CC(=O)CC(=O)C1)OC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.115g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.304g/mol
Monoisotopic Mass:
278.115g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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