pyridoxal | SBID = 1225 | 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: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H9NO3 | ||
| M / g/mol: | 167.16196 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: pyridoxal
- Preferred Abbreviation: PL
- IUPAC Name:
- CAS:
- CID: -407
- InChiKey: RADKZDMFGJYCBB-UHFFFAOYSA-N
- InChi: InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
- CanoSmiles: O=Cc1c(CO)cnc(c1O)C
- IsoSmiles: CC1=NC=C(CO)C(C=O)=C1O
