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Home > Nitro Compounds > 16891-99-9
16891-99-9 | Dodecane, 1-nitro-
CAS No: 16891-99-9 Catalog No: AG001YDQ MDL No:
Product Description
Catalog Number:
AG001YDQ
Chemical Name:
Dodecane, 1-nitro-
CAS Number:
16891-99-9
Molecular Formula:
C12H25NO2
Molecular Weight:
215.3324
IUPAC Name:
1-nitrododecane
InChI:
InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
InChI Key:
MQEMKUTWMALMCC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC[N+](=O)[O-]
EC Number:
240-929-0
NSC Number:
76735
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.189g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.337g/mol
Monoisotopic Mass:
215.189g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Thermal hazard evaluation of lauroyl peroxide mixed with nitric acid. | Molecules (Basel, Switzerland) 20120704 |
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