Back to Search
2-Naphthyl Acetate
CAS: 1523-11-1 | C12H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1523-11-1
Molecular Formula:
C12H10O2
Molecular Mass:
186.21 g/mol
Names and Synonyms:
2-Naphthyl Acetate
2-Naphthalenol, 2-acetate
2-Naphthol, acetate
2-Naphthalenol, acetate
β-Naphthyl acetate
2-Naphthyl acetate
β-Naphthol acetate
2-Acetoxynaphthalene
O-Acetyl-β-naphthol
β-Acetoxynaphthalene
Acetic acid 2-naphthyl ester
NSC 37069
2-Naphthalenyl acetate
Identifiers:
SMILES:
CC(=O)Oc1ccc2ccccc2c1
InChI:
InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
Key Properties
Melting Point
69 °C
CAS Common Chemistry
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 | 186.21 g/mol | CAS Common Chemistry |
| 186.06807956 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC=2C=CC=CC2C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RJNPPEUAJCEUPV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 69 °C | CAS Common Chemistry |
| Name | 2-Naphthyl acetate | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 2.7651000000000012 | RDKit |
| Molar Refractivity | 55.257000000000026 | RDKit |
