3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid


Chemical Name: 3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CAS Number: 57412-59-6
Product Number: AG00EBZW(AGN-PC-0JOONF)
Synonyms:
MDL No:
Molecular Formula: C7H6N2O4
Molecular Weight: 182.13354

Identification/Properties


Computed Properties
Molecular Weight:
182.135g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
182.033g/mol
Monoisotopic Mass:
182.033g/mol
Topological Polar Surface Area:
95.5A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
329
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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