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Home > Nitro Compounds > 138668-12-9
138668-12-9 | 2,6-Nonadiene, 2-nitro-, (2E,6Z)-
CAS No: 138668-12-9 Catalog No: AG0018YQ MDL No:
Product Description
Catalog Number:
AG0018YQ
Chemical Name:
2,6-Nonadiene, 2-nitro-, (2E,6Z)-
CAS Number:
138668-12-9
Molecular Formula:
C9H15NO2
Molecular Weight:
169.2209
IUPAC Name:
2-nitronona-2,6-diene
InChI:
InChI=1S/C9H15NO2/c1-3-4-5-6-7-8-9(2)10(11)12/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
PDJQEHNGAGBCRH-UHFFFAOYSA-N
SMILES:
CC/C=C\CC/C=C(/[N+](=O)[O-])\C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.11g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.224g/mol
Monoisotopic Mass:
169.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3
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