bis(3-phenylpropanoyloxy)iodate(I) | SBID = 1656 | 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: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C18H18IO4 | ||
| M / g/mol: | 425.23759 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: bis(3-phenylpropanoyloxy)iodate(I)
- Preferred Abbreviation: bis(3-phenylpropanoyloxy)iodate(I)
- IUPAC Name:
- CAS: 2387507-83-5
- CID: -650
- InChiKey: JZGXOMURHSCQEQ-UHFFFAOYSA-N
- InChi: InChI=1S/C18H18IO4/c20-17(13-11-15-7-3-1-4-8-15)22-19-23-18(21)14-12-16-9-5-2-6-10-16/h1-10H,11-14H2
- CanoSmiles: O=C(O[I]OC(=O)CCc1ccccc1)CCc1ccccc1
- IsoSmiles: O=C(CCC1=CC=CC=C1)O[I]OC(CCC2=CC=CC=C2)=O
