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5-Hydroxyanthranilic Acid
CAS: 394-31-0 | C7H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
394-31-0
Molecular Formula:
C7H7NO3
Molecular Weight:
153.137 g/mol
Names and Synonyms:
5-Hydroxyanthranilic Acid
Benzoic acid, 2-amino-5-hydroxy-
Anthranilic acid, 5-hydroxy-
2-Amino-5-hydroxybenzoic acid
5-Hydroxyanthranilic acid
Diabeton
Glyklaside
Identifiers:
SMILES:
Nc1ccc(O)cc1C(=O)O
InChI:
InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 153.137 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.042593084 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 83.55 Ų | RDKit |
| Physical Properties | LogP | 0.6726000000000001 | RDKit |
| molecular_mass | 153.14 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(O)C1=CC(O)=CC=C1N | Legacy Database | |
| cas-inchi | InChI=1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11) | Legacy Database | |
| cas-inchi-key | InChIKey=HYNQTSZBTIOFKH-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 140 °C | Legacy Database | |
| cas-name | 5-Hydroxyanthranilic acid | Legacy Database | |
| Molar | Molar Refractivity | 39.478500000000004 | RDKit |
