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303995-45-1

303995-45-1 structural image
Product Name: 4-[2-(3-METHYL-4-NITRO-5-ISOXAZOLYL)VINYL]BENZENECARBALDEHYDE
Formula: C13H10N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 258.23 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 258.06405680 g/mol
Monoisotopic Mass 258.06405680 g/mol
Topological Polar Surface Area 88.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 358
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes