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1(2H)-Naphthalenone, 3,4-Dihydro-, Oxime
CAS: 3349-64-2 | C10H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3349-64-2
Molecular Formula:
C10H11NO
Molecular Mass:
161.20 g/mol
Names and Synonyms:
1(2H)-Naphthalenone, 3,4-Dihydro-, Oxime
1(2H)-Naphthalenone, 3,4-dihydro-, oxime
1-Tetralone oxime
α-Tetralone oxime
Tetralone oxime
3,4-Dihydro-1(2H)-naphthalenone oxime
NSC 27894
4-Dihydro-2H-naphthalen-1-one oxime
N-Hydroxy-3,4-dihydronaphthalen-1(2H)-imine
1-(3,4-Dihydronaphthalen-2-yl)ethanone oxime
Identifiers:
SMILES:
ON=C1CCCc2ccccc21
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
Key Properties
Melting Point
103-104 °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 | 161.20 g/mol | CAS Common Chemistry |
| 161.204 g/mol | RDKit | |
| 161.084063972 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 | RDKit |
