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Chemical ID: 6684266
Chemical ID:
6684266
Name [?]:
biphenylene
SMILES [?]:
c1ccc2=c3ccccc3=c2c1
InChi [?]:
InChI=1/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,8,7,12,3,9,6,11,4,10,5/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)/rA:12nCCCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s7;d8;s5s9;s4d10;d1s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.19247 |
Area: | 315.054 |
Solvation: | -0.683884 |
Coulombic: | -3.2707 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 152.192 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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