3-hydroxynaphthalene-2-carboxylic acid | SBID = 2027 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 57.5 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 3.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 145.5 | ||
| Sum Formula: | C11H8O3 | ||
| M / g/mol: | 188.18 | ||
| Complexity: | 227.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags:
- Name: 3-hydroxynaphthalene-2-carboxylic acid
- Preferred Abbreviation: 3-Hydroxy-2-naphthoic acid
- IUPAC Name: 3-hydroxynaphthalene-2-carboxylic acid
- CAS: 92-70-6
- CID: 7104
- InChiKey: ALKYHXVLJMQRLQ-UHFFFAOYSA-N
- InChi: InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)
- CanoSmiles: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
- IsoSmiles: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)O
