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Chemical ID: 4166983
Chemical ID:
4166983
Name [?]:
6-hydroxy-4-methyl-1H-quinolin-2-one
SMILES [?]:
Cc1cc(=O)[nH]c2c1cc(cc2)O
InChi [?]:
InChI=1/C10H9NO2/c1-6-4-10(13)11-9-3-2-7(12)5-8(6)9/h2-5,12H,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,11,12,3,9,2,10,8,7,4,6,13,5/rA:13nCCCCONCCCCCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s10;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.74475 |
Area: | 327.404 |
Solvation: | -2.44036 |
Coulombic: | -36.6124 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.19 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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