Back to Search
1H-Indole-3-Acetic Acid, Potassium Salt (1:1)
CAS: 2338-19-4 | C10H9KNO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2338-19-4
Molecular Formula:
C10H9KNO2
Molecular Mass:
214.28 g/mol
Names and Synonyms:
1H-Indole-3-Acetic Acid, Potassium Salt (1:1)
1H-Indole-3-acetic acid, potassium salt (1:1)
Indole-3-acetic acid, monopotassium salt
1H-Indole-3-acetic acid, monopotassium salt
Indole-3-acetic acid, potassium salt
3-Indolylacetic acid potassium salt
Heteroauxin potassium salt
Potassium β-indoleacetate
Potassium indole-3-acetate
β-Indoleacetic acid potassium salt
Potassium 1H-indole-3-acetate
Potassium indol-3-ylacetate
Potassium indoleacetate
Identifiers:
SMILES:
O=C(O)Cc1c[nH]c2ccccc12.[K]
InChI:
InChI=1S/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.28 g/mol | CAS Common Chemistry |
| 214.28500000000003 g/mol | RDKit | |
| 214.027035208 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(O)CC1=CNC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13); | CAS Common Chemistry |
| InChI Key | InChIKey=GFKUBOUAPPROAC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1H-Indole-3-acetic acid, potassium salt (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 53.089999999999996 Ų | RDKit |
| LogP | 1.4142 | RDKit |
| Molar Refractivity | 55.39250000000001 | RDKit |
