Benzene, (1-methylene-2-propenyl)-
PubChem CID: 137524
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| Compound Synonyms | buta-1,3-dien-2-ylbenzene, 2288-18-8, Benzene, (1-methylene-2-propenyl)-, Phenoprene, 2-Phenyl-1,3-butadiene, 2-Phenylbutadiene, 1,3-Butadiene, 2-phenyl-, (1-Methylene-2-propenyl)benzene, (1-METHYLENEPROP-2-EN-1-YL)BENZENE, (buta-1,3-dien-2-yl)benzene, DTXSID40177422, (1-Methylene-2-propenyl)benzene #, MFCD18533661, AKOS006370496, EN300-7635567, Q67880050, Buta-1,3-dien-2-ylbenZene (ca. 14% in Tetrahydrofuran, ca. 1.0 mol/L) |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 127.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | buta-1,3-dien-2-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C10H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IMJGQTCMUZMLRZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.487 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.95 |
| Compound Name | Benzene, (1-methylene-2-propenyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 130.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 130.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 130.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4098779999999995 |
| Inchi | InChI=1S/C10H10/c1-3-9(2)10-7-5-4-6-8-10/h3-8H,1-2H2 |
| Smiles | C=CC(=C)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients