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Molecule
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
Identifiers
CAS Registry Number
1523-11-1
SMILES
CC(=O)Oc1ccc2ccccc2c1
InChI Key
RJNPPEUAJCEUPV-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O2/c1-9(13)14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3
Names and Synonyms
- 2-Naphthyl Acetate Synonym
- 2-Naphthalenol, 2-acetate Synonym
- 2-Naphthol, acetate Synonym
- 2-Naphthalenol, acetate Synonym
- β-Naphthyl acetate Synonym
- 2-Naphthyl acetate Synonym
- β-Naphthol acetate Synonym
- 2-Acetoxynaphthalene Synonym
- O-Acetyl-β-naphthol Synonym
- β-Acetoxynaphthalene Synonym
- Acetic acid 2-naphthyl ester Synonym
- NSC 37069 Synonym
- 2-Naphthalenyl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 186.21 g/mol | CAS Common Chemistry |
| 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 |
| 2.7651 | RDKit | |
| Molar Refractivity | 55.257000000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 186.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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20
0 ppm
| 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 = 186.21 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10O2.
