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Chemical ID: 6421860
Chemical ID:
6421860
Name [?]:
2-[(2-hydroxy-1-pyridyl)oxy]acetate
SMILES [?]:
c1cc[n+](c(c1)O)OCC(=O)[O-]
InChi [?]:
InChI=1/C7H7NO4/c9-6-3-1-2-4-8(6)12-5-7(10)11/h1-4H,5H2,(H,10,11)
InChi Info:
AuxInfo=1/5/N:1,2,6,3,9,5,10,4,7,11,12,8/E:(10,11)/rA:12nCCCN+CCOOCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7NO4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.4267 |
Area: | 328.138 |
Solvation: | -37.6301 |
Coulombic: | -28.4034 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 169.135 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.07 |
LogP (Chemaxon): | -2.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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