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Home > Nitro Compounds > 89078-16-0
89078-16-0 | 1-Propanol, 3,3'-[(nitroethenylidene)diimino]bis-
CAS No: 89078-16-0 Catalog No: AG0040XQ MDL No:
Product Description
Catalog Number:
AG0040XQ
Chemical Name:
1-Propanol, 3,3'-[(nitroethenylidene)diimino]bis-
CAS Number:
89078-16-0
Molecular Formula:
C8H17N3O4
Molecular Weight:
219.2383
IUPAC Name:
3-[[1-(3-hydroxypropylamino)-2-nitroethenyl]amino]propan-1-ol
InChI:
InChI=1S/C8H17N3O4/c12-5-1-3-9-8(7-11(14)15)10-4-2-6-13/h7,9-10,12-13H,1-6H2
InChI Key:
PUBKVDWNLJVYQN-UHFFFAOYSA-N
SMILES:
OCCCNC(=C[N+](=O)[O-])NCCCO
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.122g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
219.241g/mol
Monoisotopic Mass:
219.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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