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Molecule
Sodium Α-Naphthaleneacetate
CAS: 61-31-4 · C12H10NaO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 61-31-4
- Molecular Formula
- C12H10NaO2
- Molecular Mass
- 209.20 g/mol
Identifiers
CAS Registry Number
61-31-4
SMILES
O=C(O)Cc1cccc2ccccc12.[Na]
InChI Key
SNMLHWKCAMEYHB-UHFFFAOYSA-N
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);
Names and Synonyms
- Sodium Α-Naphthaleneacetate Common Name
- 1-Naphthaleneacetic acid, sodium salt (1:1) Synonym
- 1-Naphthaleneacetic acid, sodium salt Synonym
- Sodium α-naphthaleneacetate Synonym
- Pomonit Synonym
- Sodium 1-naphthylacetate Synonym
- Sodium α-naphthylacetate Synonym
- 1-Naphthylacetic acid sodium salt Synonym
- Sodium 1-naphthaleneacetate Synonym
- Radi-Stim Synonym
- Stik Synonym
- Pomonit R 10 Synonym
- Stik (growth regulator) Synonym
- α-Naphthylacetic acid sodium salt Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.20 g/mol | CAS Common Chemistry |
| 209.20000000000002 g/mol | RDKit | |
| 209.2 g/mol | RDKit | |
| 210.208 g/mol | chempirical lib | |
| 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 |
| 1.89 | chempirical lib | |
| Molar Refractivity | 61.04180000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 209.05784884 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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.
External Resources
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MW = 209.20 g/mol. Edit any field — others recompute live.
