Alpha-phenylacetoacetamide
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CAS Number 4433-77-6
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Catalog Number io-406833
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Molecular Weight 177.2000
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SMILES CC(=O)C(C1=CC=CC=C1)C(=O)N
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| 1 | alpha-phenylacetoacetamide |
| 2 | Alpha-phenylacetoacetamide (APAA) and its optical isomers |
| 3 | 3-oxo-2-phenylbutanamide |
| 4 | 2-Phenyl-3-oxobutanamide |
| 5 | alpha-Acetylbenzeneacetamide |
| Molecular Formula | C10H11NO2 |
|---|---|
| Canonical SMILES | CC(=O)C(C1=CC=CC=C1)C(=O)N |
| Isomeric SMILES | CC(=O)C(C1=CC=CC=C1)C(=O)N |
| Molecular Weight | 177.2000 |
| InChIKey | FBISRXJSJBLOHX-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H11NO2/c1-7(12)9(10(11)13)8-5-3-2-4-6-8/h2-6,9H,1H3,(H2,11,13) |
| XLogP | 0.7000 |
| ExactMass | 177.0790 |
| MonoisotopicMass | 177.0790 |
| TPSA | 60.2000 |
| Complexity | 207.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14 |
| PatentFamilyCount | 9 |
| LiteratureCount | 3 |
