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Home > Nitro Compounds > 119520-58-0
119520-58-0 | 5,8,11,14-Eicosatetraenamide, N-(4-nitrophenyl)-, (5Z,8Z,11Z,14Z)-
CAS No: 119520-58-0 Catalog No: AG000IWR MDL No:MFCD05863941
Product Description
Catalog Number:
AG000IWR
Chemical Name:
5,8,11,14-Eicosatetraenamide, N-(4-nitrophenyl)-, (5Z,8Z,11Z,14Z)-
CAS Number:
119520-58-0
Molecular Formula:
C26H36N2O3
Molecular Weight:
424.5756
MDL Number:
MFCD05863941
IUPAC Name:
(5Z,8Z,11Z,14Z)-N-(4-nitrophenyl)icosa-5,8,11,14-tetraenamide
InChI:
InChI=1S/C26H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(30)31/h6-7,9-10,12-13,15-16,20-23H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
InChI Key:
PBMVYDNBOIVHBO-DOFZRALJSA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4
Exact Mass:
424.273g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
424.585g/mol
Monoisotopic Mass:
424.273g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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