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6-Methoxypicolinic Acid
CAS: 26893-73-2 | C7H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
26893-73-2
Molecular Formula:
C7H7NO3
Molecular Weight:
153.137 g/mol
Names and Synonyms:
6-Methoxypicolinic Acid
6-Methoxypicolinic acid
6-Methoxy-2-pyridinecarboxylic acid
Picolinic acid, 6-methoxy-
2-Pyridinecarboxylic acid, 6-methoxy-
Identifiers:
SMILES:
COc1cccc(C(=O)O)n1
InChI:
InChI=1S/C7H7NO3/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4H,1H3,(H,9,10)
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 | 1 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 59.42 Ų | RDKit |
| Physical Properties | LogP | 0.7883999999999999 | RDKit |
| molecular_mass | 153.14 g/mol | Legacy Database | |
| cas-canonical-smile | O=C(O)C1=NC(OC)=CC=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H7NO3/c1-11-6-4-2-3-5(8-6)7(9)10/h2-4H,1H3,(H,9,10) | Legacy Database | |
| cas-inchi-key | InChIKey=KSWBODXXZITTPO-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 6-Methoxypicolinic acid | Legacy Database | |
| Molar | Molar Refractivity | 37.7483 | RDKit |
