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N-Hydroxynaphthalimide
CAS: 7797-81-1 | C12H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7797-81-1
Molecular Formula:
C12H7NO3
Molecular Mass:
213.19 g/mol
Names and Synonyms:
N-Hydroxynaphthalimide
1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy-
Naphthalimide, N-hydroxy-
2-Hydroxy-1H-benz[de]isoquinoline-1,3(2H)-dione
N-Hydroxynaphthalimide
N-Hydroxy-1,8-naphthalimide
Naphthalhydroxamic acid
NSC 108691
2-Hydroxy-benzo[de]isoquinoline-1,3-dione
Identifiers:
SMILES:
O=C1c2cccc3cccc(c23)C(=O)N1O
InChI:
InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H
Key Properties
Melting Point
284 °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 | 213.19 g/mol | CAS Common Chemistry |
| 213.19199999999998 g/mol | RDKit | |
| 213.042593084 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=C3C=CC=C(C(=O)N1O)C32 | CAS Common Chemistry |
| InChI | InChI=1S/C12H7NO3/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13(11)16/h1-6,16H | CAS Common Chemistry |
| InChI Key | InChIKey=KTWCUGUUDHJVIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 284 °C | CAS Common Chemistry |
| Name | N-Hydroxynaphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| LogP | 1.8249999999999997 | RDKit |
| Molar Refractivity | 56.234500000000004 | RDKit |
