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Chemical ID: 4561412
Chemical ID:
4561412
Name [?]:
4-hydroxy-1H-quinolin-2-one
SMILES [?]:
c1ccc2c(c1)c(cc(=O)[nH]2)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)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,5,4,7,9,11,12,10/rA:12nCCCCCCCCCONO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.37035 |
Area: | 307.36 |
Solvation: | -2.31365 |
Coulombic: | -36.9277 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 161.157 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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