1-Phenyl-2-butanone | SBID = 892 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C10H12O | ||
| M / g/mol: | 148.20168 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: aromatic
- Name: 1-Phenyl-2-butanone
- Preferred Abbreviation: 1-Phenyl-2-butanone
- IUPAC Name:
- CAS:
- CID: -285
- InChiKey: GKDLTXYXODKDEA-UHFFFAOYSA-N
- InChi: InChI=1S/C10H12O/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- CanoSmiles: CCC(=O)Cc1ccccc1
- IsoSmiles: CCC(=O)CC1=CC=CC=C1
