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66066-39-5

66066-39-5 structural image
Product Name: 4-CYANO-3-METHYL-BUT-3-ENOIC ACID ETHYL ESTER
Formula: C8H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 153.18 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 153.078978594 g/mol
Monoisotopic Mass 153.078978594 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 209
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes