1,2-Bis(ethenyl)benzene
PubChem CID: 24832064
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| Compound Synonyms | Benzene, divinyl-, 1,2-bis(ethenyl)benzene, 1,3-bis(ethenyl)benzene, 1,4-bis(ethenyl)benzene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-bis(ethenyl)benzene, 1,3-bis(ethenyl)benzene, 1,4-bis(ethenyl)benzene |
| Prediction Hob | 1.0 |
| Molecular Formula | C30H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXZBQHAIFASFEA-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.922 |
| Rotatable Bond Count | 6.0 |
| Logd | 3.409 |
| Compound Name | 1,2-Bis(ethenyl)benzene, 1,3-bis(ethenyl)benzene, 1,4-bis(ethenyl)benzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 390.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 390.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 390.6 |
| Covalent Unit Count | 3.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.874134000000002 |
| Inchi | InChI=1S/3C10H10/c1-3-9-5-7-10(4-2)8-6-9, 1-3-9-6-5-7-10(4-2)8-9, 1-3-9-7-5-6-8-10(9)4-2/h3*3-8H,1-2H2 |
| Smiles | C=CC1=CC=C(C=C1)C=C.C=CC1=CC(=CC=C1)C=C.C=CC1=CC=CC=C1C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Carthamus Tinctorius (Plant) Rel Props:Source_db:cmaup_ingredients