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Chemical ID: 7435966
Chemical ID:
7435966
Name [?]:
5-hydroxy-8-methoxy-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
COc1ccc2c(c1)N(C(=O)CO2)O
InChi [?]:
InChI=1/C9H9NO4/c1-13-6-2-3-8-7(4-6)10(12)9(11)5-14-8/h2-4,12H,5H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,8,12,3,7,6,10,9,11,14,2,13/rA:14nCOCCCCCCNCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s6s12;s9;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9NO4 |
All Atoms: | 23 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.551 |
Area: | 343.838 |
Solvation: | -4.04495 |
Coulombic: | -39.8325 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 195.172 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.45 |
LogP (Chemaxon): | -0.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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