3-Oxo-3-phenylpropene
PubChem CID: 13028
Connections displayed (default: 10).
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| Compound Synonyms | Acrylophenone, 1-phenylprop-2-en-1-one, 768-03-6, 1-Phenyl-2-propen-1-one, 3-Oxo-3-phenylpropene, Phenyl vinyl ketone, 2-Propenophenone, Vinyl phenyl ketone, Phenylvinylketone, 2-Propen-1-one, 1-phenyl-, Ethylene, benzoyl-, Phenylvinyl ketone, Acetophenone, 2-methylene-, KETONE, PHENYL VINYL, Benzoylethylene, NSC 174109, O4QWF7V5AA, 1-phenylpropenone, EINECS 212-190-4, BRN 0635987, NSC-174109, 1-PHENYLPROP-2-ENONE, 2-METHYLENEACETOPHENONE, CHEMBL3099615, DTXSID30227607, 4-07-00-00995 (Beilstein Handbook Reference), 1-Phenyl-2-propen-1-one (Contains ~1% BHT as stabilizer), Acryloylbenzene, 1-Phenyl-2-propen-1-one (Contains ~1% BHT as stabilizer) ~70%, UNII-O4QWF7V5AA, 1-phenyl-1-oxo-2-propene, WLN: 1U1VR, SCHEMBL38134, 1-phenyl-prop-2-en-1-one, SCHEMBL13158915, SCHEMBL18428678, DTXCID40150098, BDBM50444877, NSC174109, 2-Propen-1-one, 1-phenyl-(9CI), AKOS006239796, BS-13325, PD139287, CS-0079589, NS00037842, EN300-66663, Q20707278, 1-PHENYL-2-PROPEN-1-ONE (STABILIZED WITH TBC), 212-190-4 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 132.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P17612, P31749 |
| Iupac Name | 1-phenylprop-2-en-1-one |
| Prediction Hob | 1.0 |
| Target Id | NPT728 |
| Xlogp | 1.9 |
| Molecular Formula | C9H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KUIZKZHDMPERHR-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -2.114 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.486 |
| Compound Name | 3-Oxo-3-phenylpropene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 132.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.058 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 132.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1558043999999996 |
| Inchi | InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2 |
| Smiles | C=CC(=O)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
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