2-(2,5-dihydroxyphenyl)acetic acid | SBID = 2344 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 77.8 | ||
| Ertl TPSA/Å2: | 77.76 | ||
| Hydrophilicity (PubChem XLogP): | 0.5 | ||
| Hydrophilicity (Cheng XLogP3): | 2.12 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 3.0 | ||
| 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: | 126.0 | ||
| Sum Formula: | C8H8O4 | ||
| M / g/mol: | 168.15 | ||
| Complexity: | 168.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: 2-(2,5-dihydroxyphenyl)acetic acid
- Preferred Abbreviation: Homogentisic acid
- IUPAC Name: 2-(2,5-dihydroxyphenyl)acetic acid
- CAS:
- CID: 780
- InChiKey: IGMNYECMUMZDDF-UHFFFAOYSA-N
- InChi: InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
- CanoSmiles: C1=CC(=C(C=C1O)CC(=O)O)O
- IsoSmiles: C1=CC(=C(C=C1O)CC(=O)O)O
