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Chemical ID: 6681451
Chemical ID:
6681451
Name [?]:
2-hydroxyquinolin-4-olate
SMILES [?]:
c1ccc2c(c1)c(cc(n2)O)[O-]
InChi [?]:
InChI=1/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,9,10,12,11/rA:12nCCCCCCCCCNOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H6NO2- |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.5818 |
Area: | 308.307 |
Solvation: | -42.2895 |
Coulombic: | -8.97238 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 160.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.04 |
LogP (Chemaxon): | 2.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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