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4954-36-3

4954-36-3 structural image
Product Name: 3,3-DIMETHYL-4-PENTENOIC ACID METHYL ESTER
Formula: C12H14N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 180.31 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 2
Exact Mass 180.09727168 g/mol
Monoisotopic Mass 180.09727168 g/mol
Topological Polar Surface Area 1 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 126
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