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Chemical ID: 7228368
Chemical ID:
7228368
Name [?]:
4-oxo-1,3-dihydropyrimidine-2,6-diolate
SMILES [?]:
c1c(=O)[nH]c([nH+]c1[O-])[O-]
InChi [?]:
InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,5,4,6,3,8,9/E:(2,3)(5,6)(7,8)/rA:9nCCONCN+CO-O-/rB:s1;d2;s2;s4;d5;d1s6;s7;s5;/rC:;;;;;;;;;
Chemical Details
Atom Count
Formula: | C4H3N2O3- |
All Atoms: | 12 |
Heavy Atoms: | 9 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -34.205 |
Area: | 265.577 |
Solvation: | -40.8445 |
Coulombic: | -71.9924 |
Bond Count [?]
All: | 9 |
Single: | 6 |
Double: | 3 |
Rotors: | 0 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.37 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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