Chemical ID: 5823088

c1cnccc1C(=O)[O-]
Chemical ID:
5823088
Name [?]:
pyridine-4-carboxylate
SMILES [?]:
c1cnccc1C(=O)[O-]
InChi [?]:
InChI=1/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,7,3,8,9/E:(1,2)(3,4)(8,9)/rA:9nCCNCCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4NO2-
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-35.5204
Area:267.867
Solvation:-42.217
Coulombic:-5.65124
Bond Count [?]
All:9
Single:5
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:122.102
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:-0.1
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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