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50835-77-3

50835-77-3 structural image
Product Name: methyl 3-isocyanatopropanoate
Formula: C5H7NO3
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COMPUTED DESCRIPTORS

Molecular Weight 129.11 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 129.042593085 g/mol
Monoisotopic Mass 129.042593085 g/mol
Topological Polar Surface Area 55.7 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 137
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

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