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 |
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