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Home > Nitro Compounds > 88888-43-1
88888-43-1 | 1,3-Octadiene, 8-nitro-, (E)-
CAS No: 88888-43-1 Catalog No: AG0049J7 MDL No:
Product Description
Catalog Number:
AG0049J7
Chemical Name:
1,3-Octadiene, 8-nitro-, (E)-
CAS Number:
88888-43-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
8-nitroocta-1,3-diene
InChI:
InChI=1S/C8H13NO2/c1-2-3-4-5-6-7-8-9(10)11/h2-4H,1,5-8H2
InChI Key:
SHRUXPDMPVTLJG-UHFFFAOYSA-N
SMILES:
C=C/C=C/CCCC[N+](=O)[O-]
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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