1-Nitrohexane


Chemical Name: 1-Nitrohexane
CAS Number: 646-14-0
Product Number: AG003EKF(AGN-PC-0WAFVD)
Synonyms:
MDL No:
Molecular Formula:
Molecular Weight:

Identification/Properties


Properties
MP:
23.5℃ (estimate)
Storage:
2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
131.175g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
131.095g/mol
Monoisotopic Mass:
131.095g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
77.6
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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