Chemical ID: 6421860

c1cc[n+](c(c1)O)OCC(=O)[O-]
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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Descriptor Annotations

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