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71027-27-5

71027-27-5 structural image
Product Name: 2-BUTYL-2-NITRO-1,3-PROPANEDIOL
Formula: C7H15NO4
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COMPUTED DESCRIPTORS

Molecular Weight 177.20 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 177.10010796 g/mol
Monoisotopic Mass 177.10010796 g/mol
Topological Polar Surface Area 86.3 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 139
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