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Chemical ID: 6465749
Chemical ID:
6465749
Name [?]:
10-hydroxy-8-methyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
CC1C(=O)N(c2ccccc2O1)O
InChi [?]:
InChI=1/C9H9NO3/c1-6-9(11)10(12)7-4-2-3-5-8(7)13-6/h2-6,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,2,6,11,3,5,4,13,12/rA:13cCCCONCCCCCCOO/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9NO3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.69425 |
Area: | 323.796 |
Solvation: | -2.40066 |
Coulombic: | -34.9014 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 179.173 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.06 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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