Chemical ID: 4163772

c1c(c(=O)[nH]c(=O)[nH]1)C=O
Chemical ID:
4163772
Name [?]:
2,4-dioxo-1H-pyrimidine-5-carbaldehyde
SMILES [?]:
c1c(c(=O)[nH]c(=O)[nH]1)C=O
InChi [?]:
InChI=1/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)
InChi Info:
AuxInfo=1/1/N:1,9,2,3,6,8,5,10,4,7/rA:10nCCCONCONCO/rB:d1;s2;d3;s3;s5;d6;s1s6;s2;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4N2O3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:2.37928
Area:277.468
Solvation:-4.55742
Coulombic:-46.249
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:140.097
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:-1.26
LogP (Chemaxon):-0.58

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Descriptor Annotations

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