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Chemical ID: 5146971
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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