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Molecule
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
Identifiers
CAS Registry Number
2338-19-4
SMILES
O=C(O)Cc1c[nH]c2ccccc12.[K]
InChI Key
GFKUBOUAPPROAC-UHFFFAOYSA-N
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);
Names and Synonyms
- 1H-Indole-3-Acetic Acid, Potassium Salt (1:1) Synonym
- 1H-Indole-3-acetic acid, potassium salt (1:1) Synonym
- Indole-3-acetic acid, monopotassium salt Synonym
- 1H-Indole-3-acetic acid, monopotassium salt Synonym
- Indole-3-acetic acid, potassium salt Synonym
- 3-Indolylacetic acid potassium salt Synonym
- Heteroauxin potassium salt Synonym
- Potassium β-indoleacetate Synonym
- Potassium indole-3-acetate Synonym
- β-Indoleacetic acid potassium salt Synonym
- Potassium 1H-indole-3-acetate Synonym
- Potassium indol-3-ylacetate Synonym
- Potassium indoleacetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 214.28 g/mol | CAS Common Chemistry |
| 214.28500000000003 g/mol | RDKit | |
| 214.285 g/mol | RDKit | |
| 216.301 g/mol | chempirical lib | |
| 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 |
| 53.09 Ų | RDKit | |
| 49.3 Ų | chempirical lib | |
| LogP | 1.4142 | RDKit |
| 1.29 | chempirical lib | |
| Molar Refractivity | 55.39250000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 214.027035208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 214.28 g/mol. Edit any field — others recompute live.
