methyl (2E)-3-(pyrimidin-4-yl)prop-2-enoate, E


Chemical Name: methyl (2E)-3-(pyrimidin-4-yl)prop-2-enoate, E
CAS Number: 2434-61-9
Product Number: AG01DTBG(AG01DTBG)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O2
Molecular Weight: 164.1613

Identification/Properties


Computed Properties
Molecular Weight:
164.164g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
164.059g/mol
Monoisotopic Mass:
164.059g/mol
Topological Polar Surface Area:
52.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
180
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

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NMR Spectrum


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