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Molecule
N-Hydroxynaphthalimide
CAS: 7797-81-1 · C12H7NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7797-81-1
- Molecular Formula
- C12H7NO3
- Molecular Mass
- 213.19 g/mol
Identifiers
CAS Registry Number
7797-81-1
SMILES
O=C1c2cccc3cccc(c23)C(=O)N1O
InChI Key
KTWCUGUUDHJVIH-UHFFFAOYSA-N
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
Names and Synonyms
- N-Hydroxynaphthalimide Common Name
- 1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-hydroxy- Synonym
- Naphthalimide, N-hydroxy- Synonym
- 2-Hydroxy-1H-benz[de]isoquinoline-1,3(2H)-dione Synonym
- N-Hydroxynaphthalimide Synonym
- N-Hydroxy-1,8-naphthalimide Synonym
- Naphthalhydroxamic acid Synonym
- NSC 108691 Synonym
- 2-Hydroxy-benzo[de]isoquinoline-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.19 g/mol | CAS Common Chemistry |
| 213.19199999999998 g/mol | RDKit | |
| 213.192 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 |
| 57.38 Ų | chempirical lib | |
| LogP | 1.8249999999999997 | RDKit |
| 1.825 | RDKit | |
| Molar Refractivity | 56.234500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 213.042593084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 213.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H7NO3.
