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Home > Nitro Compounds > 122016-31-3
122016-31-3 | 1-Nonene, 1-nitro-, (1E)-
CAS No: 122016-31-3 Catalog No: AG0016MI MDL No:
Product Description
Catalog Number:
AG0016MI
Chemical Name:
1-Nonene, 1-nitro-, (1E)-
CAS Number:
122016-31-3
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
1-nitronon-1-ene
InChI:
InChI=1S/C9H17NO2/c1-2-3-4-5-6-7-8-9-10(11)12/h8-9H,2-7H2,1H3
InChI Key:
ZAHVEXMVJIDMLE-UHFFFAOYSA-N
SMILES:
CCCCCCC/C=C/[N+](=O)[O-]
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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