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597-09-1

597-09-1 structural image
Product Name: 2-ETHYL-2-NITRO-1,3-PROPANEDIOL
Formula: C5H11NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Vapor Pressure 0.0000865 [mmHg]
Chemical Classes Nitrogen Compounds -> Other Nitrogen Compounds

COMPUTED DESCRIPTORS

Molecular Weight 149.15 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 149.06880783 g/mol
Monoisotopic Mass 149.06880783 g/mol
Topological Polar Surface Area 86.3 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 115
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