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Molecule
1(2H)-Naphthalenone, 3,4-Dihydro-, Oxime
CAS: 3349-64-2 · C10H11NO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3349-64-2
- Molecular Formula
- C10H11NO
- Molecular Mass
- 161.20 g/mol
Identifiers
CAS Registry Number
3349-64-2
SMILES
ON=C1CCCc2ccccc21
InChI Key
YFDVQUUMKXZPLK-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2
Names and Synonyms
- 1(2H)-Naphthalenone, 3,4-Dihydro-, Oxime Synonym
- 1(2H)-Naphthalenone, 3,4-dihydro-, oxime Synonym
- 1-Tetralone oxime Synonym
- α-Tetralone oxime Synonym
- Tetralone oxime Synonym
- 3,4-Dihydro-1(2H)-naphthalenone oxime Synonym
- NSC 27894 Synonym
- 4-Dihydro-2H-naphthalen-1-one oxime Synonym
- N-Hydroxy-3,4-dihydronaphthalen-1(2H)-imine Synonym
- 1-(3,4-Dihydronaphthalen-2-yl)ethanone oxime Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 161.20 g/mol | CAS Common Chemistry |
| 161.204 g/mol | RDKit | |
| Canonical SMILES | ON=C1C=2C=CC=CC2CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YFDVQUUMKXZPLK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 103-104 °C | CAS Common Chemistry |
| Name | 1(2H)-Naphthalenone, 3,4-dihydro-, oxime | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.59 Ų | RDKit |
| LogP | 2.2012 | RDKit |
| Molar Refractivity | 47.70350000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3 | RDKit |
| Exact Mass | 161.084063972 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
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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 = 161.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO.
