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Home > Aldehydes > 178475-85-9
178475-85-9 | 1H-Imidazole-4,5-dicarboxaldehyde, 1-benzoyl-2-undecyl-
CAS No: 178475-85-9 Catalog No: AG00262V MDL No:
Product Description
Catalog Number:
AG00262V
Chemical Name:
1H-Imidazole-4,5-dicarboxaldehyde, 1-benzoyl-2-undecyl-
CAS Number:
178475-85-9
Molecular Formula:
C23H30N2O3
Molecular Weight:
382.4959
IUPAC Name:
1-benzoyl-2-undecylimidazole-4,5-dicarbaldehyde
InChI:
InChI=1S/C23H30N2O3/c1-2-3-4-5-6-7-8-9-13-16-22-24-20(17-26)21(18-27)25(22)23(28)19-14-11-10-12-15-19/h10-12,14-15,17-18H,2-9,13,16H2,1H3
InChI Key:
PMWZLWHLCZVXCS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1nc(c(n1C(=O)c1ccccc1)C=O)C=O
Properties
Complexity:
477
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.226g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.504g/mol
Monoisotopic Mass:
382.226g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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