Chemical ID: 5871762

c1ccc2c(c1)cc(c(=O)[nH]2)CO
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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