Chemical ID: 4685578

Cc1ccc(cc1)C#Cc2ccco2
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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