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Chemical ID: 6425631
Chemical ID:
6425631
Name [?]:
ethyl 1-benzyl-4-hydroxy-6-oxo-pyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cn(c(=O)cc1O)Cc2ccccc2
InChi [?]:
InChI=1/C15H15NO4/c1-2-20-15(19)12-10-16(14(18)8-13(12)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,11,14,7,15,6,12,9,4,8,13,10,5,3/E:(4,5)(6,7)/rA:20nCCOCOCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6d11;s12;s8;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.83801 |
Area: | 465.182 |
Solvation: | -3.79153 |
Coulombic: | -51.4384 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 273.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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