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113538-91-3 | 2,4,6,8-Nonatetraenal, 9-[4-(dodecylmethylamino)phenyl]-2,7-dimethyl-
CAS No: 113538-91-3 Catalog No: AG0008XZ MDL No:
Product Description
Catalog Number:
AG0008XZ
Chemical Name:
2,4,6,8-Nonatetraenal, 9-[4-(dodecylmethylamino)phenyl]-2,7-dimethyl-
CAS Number:
113538-91-3
Molecular Formula:
C30H45NO
Molecular Weight:
435.6844
IUPAC Name:
9-[4-[dodecyl(methyl)amino]phenyl]-2,7-dimethylnona-2,4,6,8-tetraenal
InChI:
InChI=1S/C30H45NO/c1-5-6-7-8-9-10-11-12-13-16-25-31(4)30-23-21-29(22-24-30)20-19-27(2)17-14-15-18-28(3)26-32/h14-15,17-24,26H,5-13,16,25H2,1-4H3
InChI Key:
UMOVCWGYXKTVAB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCN(c1ccc(cc1)C=CC(=CC=CC=C(C=O)C)C)C
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.35g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
435.696g/mol
Monoisotopic Mass:
435.35g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
4
XLogP3:
10.4
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