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68007-03-4

68007-03-4 structural image
Product Name: 2-HYDROXY-3-METHYL-5-NITRO-BENZALDEHYDE
Formula: C8H7NO4
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COMPUTED DESCRIPTORS

Molecular Weight 181.15 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 181.03750770 g/mol
Monoisotopic Mass 181.03750770 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 213
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