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132080-64-9 | 1,4-Cyclohexadiene-1-nonanal, 4,5-dimethoxy-2-methyl-3,6-dioxo-
CAS No: 132080-64-9 Catalog No: AG001065 MDL No:
Product Description
Catalog Number:
AG001065
Chemical Name:
1,4-Cyclohexadiene-1-nonanal, 4,5-dimethoxy-2-methyl-3,6-dioxo-
CAS Number:
132080-64-9
Molecular Formula:
C18H26O5
Molecular Weight:
322.3960
IUPAC Name:
9-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)nonanal
InChI:
InChI=1S/C18H26O5/c1-13-14(11-9-7-5-4-6-8-10-12-19)16(21)18(23-3)17(22-2)15(13)20/h12H,4-11H2,1-3H3
InChI Key:
XROBGVIDTINBHG-UHFFFAOYSA-N
SMILES:
O=CCCCCCCCCC1=C(C)C(=O)C(=C(C1=O)OC)OC
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.178g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.401g/mol
Monoisotopic Mass:
322.178g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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