3-Butenylbenzene
PubChem CID: 13033
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| Compound Synonyms | 4-PHENYL-1-BUTENE, 768-56-9, 3-Butenylbenzene, but-3-enylbenzene, Benzene, 3-butenyl-, 1-Phenyl-3-butene, 1-Butene, 4-phenyl-, 4-Phenylbutene-1, 4-Phenylbut-1-ene, (but-3-en-1-yl)benzene, 3-buten-1-ylbenzene, Benzene, 3-buten-1-yl-, NSC 65603, but-3-enyl-benzene, UNII-58584HOZ1Z, 58584HOZ1Z, NSC-65603, DTXSID80227612, EC 405-980-7, but-3-en-1-ylbenzene, MFCD00026111, 4-phenyl butene, NCIOpen2_000307, 4-Phenyl-1-butene, 99%, WLN: 1U3R, DTXCID30150103, AAA76856, NSC65603, AKOS009156430, AC-16193, LS-13774, DB-056146, NS00005147, P0161, D91916, EN300-134660, Q27261558, YGM |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | but-3-enylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C10H12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PBGVMIDTGGTBFS-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.815 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.394 |
| Compound Name | 3-Butenylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9783772 |
| Inchi | InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2,4-6,8-9H,1,3,7H2 |
| Smiles | C=CCCC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Elsholtzia Splendens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients