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Chemical ID: 4685578
Chemical ID:
4685578
Name [?]:
2-[2-(p-tolyl)ethynyl]furan
SMILES [?]:
Cc1ccc(cc1)C#Cc2ccco2
InChi [?]:
InChI=1/C13H10O/c1-11-4-6-12(7-5-11)8-9-13-3-2-10-14-13/h2-7,10H,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,3,7,4,6,8,9,13,2,5,10,14/E:(4,5)(6,7)/rA:14nCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;t8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75294 |
Area: | 382.469 |
Solvation: | -1.80877 |
Coulombic: | -9.73398 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 182.218 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.76 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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