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Chemical ID: 4662502
Chemical ID:
4662502
Name [?]:
methyl 2,6-dioxohexahydropyrimidine-4-carboxylate
SMILES [?]:
COC(=O)C1CC(=O)NC(=O)N1
InChi [?]:
InChI=1/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(11)7-3/h3H,2H2,1H3,(H2,7,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,3,10,12,9,8,4,11,2/rA:12cCOCOCCCONCON/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s5s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8N2O4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.79855 |
Area: | 325.986 |
Solvation: | -3.35111 |
Coulombic: | -58.8541 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 172.139 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.35 |
LogP (Chemaxon): | -1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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