Chemical ID: 5146971

Cc1cc(nc2c1CCO2)O
Chemical ID:
5146971
Name [?]:
5-methyl-9-oxa-2-azabicyclo[4.3.0]nona-1,3,5-trien-3-ol
SMILES [?]:
Cc1cc(nc2c1CCO2)O
InChi [?]:
InChI=1/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4H,2-3H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,9,3,2,7,4,6,5,11,10/rA:11nCCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s6s9;s4;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:4.32541
Area:296.956
Solvation:-3.0985
Coulombic:-29.3024
Bond Count [?]
All:12
Single:9
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.02
LogP (Chemaxon):2.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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