3-(4-hydroxyphenyl)-2-oxopropanoic acid | SBID = 2341 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 74.6 | ||
| Ertl TPSA/Å2: | 74.6 | ||
| Hydrophilicity (PubChem XLogP): | 0.9 | ||
| Hydrophilicity (Cheng XLogP3): | 1.79 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 137.0 | ||
| Sum Formula: | C9H8O4 | ||
| M / g/mol: | 180.16 | ||
| Complexity: | 204.0 | ||
| Number of Conformers: | 9.0 |
Identifiers
- Tags:
- Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid
- Preferred Abbreviation: 4-Hydroxyphenylpyruvic acid
- IUPAC Name: 3-(4-hydroxyphenyl)-2-oxopropanoic acid
- CAS:
- CID: 979
- InChiKey: KKADPXVIOXHVKN-UHFFFAOYSA-N
- InChi: InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
- CanoSmiles: C1=CC(=CC=C1CC(=O)C(=O)O)O
- IsoSmiles: C1=CC(=CC=C1CC(=O)C(=O)O)O
