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Potassium Α-Naphthaleneacetate
CAS: 15165-79-4 | C12H10KO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15165-79-4
Molecular Formula:
C12H10KO2
Molecular Mass:
225.31 g/mol
Names and Synonyms:
Potassium Α-Naphthaleneacetate
1-Naphthaleneacetic acid, potassium salt (1:1)
1-Naphthaleneacetic acid, potassium salt
Potassium α-naphthylacetate
α-Naphthylacetic acid potassium salt
α-Naphthaleneacetic acid potassium salt
Potassium 1-naphthaleneacetate
Potassium α-naphthaleneacetate
KANU
Potassium 1-naphthylacetate
1-NAA potassium salt
Pommit Extra
Identifiers:
SMILES:
O=C(O)Cc1cccc2ccccc12.[K]
InChI:
InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14);
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 | 225.31 g/mol | CAS Common Chemistry |
| 225.308 g/mol | RDKit | |
| 225.03178624 g/mol | RDKit | |
| Canonical SMILES | [K].O=C(O)CC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2.K/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H,8H2,(H,13,14); | CAS Common Chemistry |
| InChI Key | InChIKey=ADHKNBCKUUVGIL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Potassium α-naphthaleneacetate | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.0861 | RDKit |
| Molar Refractivity | 61.04180000000002 | RDKit |
