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Chemical ID: 4727184
Chemical ID:
4727184
Name [?]:
8-oxa-7,9-diazabicyclo[4.3.0]nona-2,4,6,9-tetraene-4-carbaldehyde
SMILES [?]:
c1cc2c(cc1C=O)non2
InChi [?]:
InChI=1/C7H4N2O2/c10-4-5-1-2-6-7(3-5)9-11-8-6/h1-4H
InChi Info:
AuxInfo=1/0/N:1,2,5,7,6,3,4,11,9,8,10/rA:11nCCCCCCCONON/rB:d1;s2;s3;s4;s1d5;s6;d7;d4;s9;d3s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H4N2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.41592 |
Area: | 293.878 |
Solvation: | -2.93102 |
Coulombic: | -8.91632 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 148.119 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.47 |
LogP (Chemaxon): | 1.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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