2-(benzyloxy)acetaldehyde | SBID = 197 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 26.3 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 1.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 125.2 | ||
| Sum Formula: | C9H10O2 | ||
| M / g/mol: | 150.177 | ||
| Complexity: | 106.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: aromatic
- Name: 2-(benzyloxy)acetaldehyde
- Preferred Abbreviation: 2-(benzyloxy)acetaldehyde
- IUPAC Name: 2-phenylmethoxyacetaldehyde
- CAS: 60656-87-3
- CID: 108989
- InChiKey: NFNOAHXEQXMCGT-UHFFFAOYSA-N
- InChi: InChI=1S/C9H10O2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-6H,7-8H2
- CanoSmiles: C1=CC=C(C=C1)COCC=O
- IsoSmiles: C1=CC=C(C=C1)COCC=O
