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76-39-1

76-39-1 structural image
Product Name: 2-Methyl-2-nitropropan-1-ol
Formula: C4H9NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Vapor Pressure 0.09 [mmHg]
Kovats Retention Index 1898
Chemical Classes Nitrogen Compounds -> Nitros, Aliphatic

COMPUTED DESCRIPTORS

Molecular Weight 119.12 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 119.058243149 g/mol
Monoisotopic Mass 119.058243149 g/mol
Topological Polar Surface Area 66 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 93.9
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