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Chemical ID: 5871762
Chemical ID:
5871762
Name [?]:
3-(hydroxymethyl)-1H-quinolin-2-one
SMILES [?]:
c1ccc2c(c1)cc(c(=O)[nH]2)CO
InChi [?]:
InChI=1/C10H9NO2/c12-6-8-5-7-3-1-2-4-9(7)11-10(8)13/h1-5,12H,6H2,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,12,5,8,4,9,11,13,10/rA:13nCCCCCCCCCONCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09265 |
Area: | 330.925 |
Solvation: | -2.18047 |
Coulombic: | -38.9135 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.35 |
LogP (Chemaxon): | 1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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