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88175-74-0 | 1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-trimethoxyphenyl)-
CAS No: 88175-74-0 Catalog No: AG004CN4 MDL No:
Product Description
Catalog Number:
AG004CN4
Chemical Name:
1,3-Cyclohexanedione, 2-(1-oxopropyl)-5-(2,4,6-trimethoxyphenyl)-
CAS Number:
88175-74-0
Molecular Formula:
C18H22O6
Molecular Weight:
334.3637
IUPAC Name:
2-propanoyl-5-(2,4,6-trimethoxyphenyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C18H22O6/c1-5-12(19)18-13(20)6-10(7-14(18)21)17-15(23-3)8-11(22-2)9-16(17)24-4/h8-10,18H,5-7H2,1-4H3
InChI Key:
WUZWHFUYAZTHNK-UHFFFAOYSA-N
SMILES:
CCC(=O)C1C(=O)CC(CC1=O)c1c(OC)cc(cc1OC)OC
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.142g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.368g/mol
Monoisotopic Mass:
334.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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