Back to Search
Sodium Α-Naphthaleneacetate
CAS: 61-31-4 | C12H10NaO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
61-31-4
Molecular Formula:
C12H10NaO2
Molecular Mass:
209.20 g/mol
Names and Synonyms:
Sodium Α-Naphthaleneacetate
1-Naphthaleneacetic acid, sodium salt (1:1)
1-Naphthaleneacetic acid, sodium salt
Sodium α-naphthaleneacetate
Pomonit
Sodium 1-naphthylacetate
Sodium α-naphthylacetate
1-Naphthylacetic acid sodium salt
Sodium 1-naphthaleneacetate
Radi-Stim
Stik
Pomonit R 10
Stik (growth regulator)
α-Naphthylacetic acid sodium salt
Identifiers:
SMILES:
O=C(O)Cc1cccc2ccccc12.[Na]
InChI:
InChI=1S/C12H10O2.Na/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 | 209.20 g/mol | CAS Common Chemistry |
| 209.20000000000002 g/mol | RDKit | |
| 209.05784884 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)CC1=CC=CC=2C=CC=CC21 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2.Na/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=SNMLHWKCAMEYHB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Sodium 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 |
