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Hexa-1,3-diynylbenzene

PubChem CID: 5320055

Connections displayed (default: 10).
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Compound Synonyms hexa-1,3-diynylbenzene, 1-phenyl-1,3-hexadiyne, 10508-66-4, 1,3-hexadiynylbenzene, hexa-1,3-diynyl-benzene, Hexa-1,3-diyn-1-ylbenzene
Topological Polar Surface Area 0.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 12.0
Isotope Atom Count 0.0
Molecular Complexity 241.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name hexa-1,3-diynylbenzene
Prediction Hob 1.0
Xlogp 3.5
Molecular Formula C12H10
Prediction Swissadme 0.0
Inchi Key BRCIUCONXSZSKN-UHFFFAOYSA-N
Fcsp3 0.1666666666666666
Logs -4.532
Rotatable Bond Count 2.0
Logd 3.868
Compound Name Hexa-1,3-diynylbenzene
Prediction Hob Swissadme 0.0
Exact Mass 154.078
Formal Charge 0.0
Monoisotopic Mass 154.078
Hydrogen Bond Acceptor Count 0.0
Molecular Weight 154.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -4.2846144
Inchi InChI=1S/C12H10/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2H2,1H3
Smiles CCC#CC#CC1=CC=CC=C1
Nring 1.0
Defined Bond Stereocenter Count 0.0