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Chemical ID: 3969633
Chemical ID:
3969633
Name [?]:
dibenzofuran
SMILES [?]:
c1ccc2c(c1)c3ccccc3o2
InChi [?]:
InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,9,2,10,6,8,3,11,5,7,4,12,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:13nCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61124 |
Area: | 322.142 |
Solvation: | -1.44231 |
Coulombic: | -10.2717 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 168.191 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.42 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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