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114226-19-6 | 1-Nonanone, 9-(1,3-benzodioxol-5-yl)-1-(2,6-dimethoxyphenyl)-
CAS No: 114226-19-6 Catalog No: AG000AVB MDL No:
Product Description
Catalog Number:
AG000AVB
Chemical Name:
1-Nonanone, 9-(1,3-benzodioxol-5-yl)-1-(2,6-dimethoxyphenyl)-
CAS Number:
114226-19-6
Molecular Formula:
C24H30O5
Molecular Weight:
398.4920
IUPAC Name:
9-(1,3-benzodioxol-5-yl)-1-(2,6-dimethoxyphenyl)nonan-1-one
InChI:
InChI=1S/C24H30O5/c1-26-21-12-9-13-22(27-2)24(21)19(25)11-8-6-4-3-5-7-10-18-14-15-20-23(16-18)29-17-28-20/h9,12-16H,3-8,10-11,17H2,1-2H3
InChI Key:
OZLBDZUZLSWPJQ-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)CCCCCCCCc1ccc2c(c1)OCO2)OC
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.209g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.499g/mol
Monoisotopic Mass:
398.209g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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