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Chemical ID: 4763776
Chemical ID:
4763776
Name [?]:
ethyl 5-methyl-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1c([nH]c(=O)[nH]1)C
InChi [?]:
InChI=1/C7H10N2O3/c1-3-12-6(10)5-4(2)8-7(11)9-5/h3H2,1-2H3,(H2,8,9,11)
InChi Info:
AuxInfo=1/1/N:1,12,2,7,6,4,9,8,11,5,10,3/rA:12nCCOCOCCNCONC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s6s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H10N2O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48786 |
Area: | 338.11 |
Solvation: | -1.9649 |
Coulombic: | -53.1093 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 170.166 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.02 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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