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Molecule
N-Hydroxyphthalimide
CAS: 524-38-9 · C8H5NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 524-38-9
- Molecular Formula
- C8H5NO3
- Molecular Mass
- 163.13 g/mol
Identifiers
CAS Registry Number
524-38-9
SMILES
O=C1c2ccccc2C(=O)N1O
InChI Key
CFMZSMGAMPBRBE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H
Names and Synonyms
- N-Hydroxyphthalimide Common Name
- 1H-Isoindole-1,3(2H)-dione, 2-hydroxy- Synonym
- Phthalimide, N-hydroxy- Synonym
- 2-Hydroxy-1H-isoindole-1,3(2H)-dione Synonym
- N-Hydroxyphthalimide Synonym
- F 802 Synonym
- 2-Hydroxyphthalimide Synonym
- 2-Hydroxyisoindole-1,3-dione Synonym
- N-Hydroxyphthalamide Synonym
- NSC 770 Synonym
- 2-Hydroxyisoindoline-1,3-dione Synonym
- 2-Hydroxy-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 163.13 g/mol | CAS Common Chemistry |
| 163.13199999999998 g/mol | RDKit | |
| 163.132 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.570 g/cm3 @ 22.4 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/N-Hydroxyphthalimide | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1O | CAS Common Chemistry |
| InChI | InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)8(11)9(7)12/h1-4,12H | CAS Common Chemistry |
| InChI Key | InChIKey=CFMZSMGAMPBRBE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 233 °C (decomp) | CAS Common Chemistry |
| Name | N-Hydroxyphthalimide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 57.61 Ų | RDKit |
| 57.38 Ų | chempirical lib | |
| LogP | 0.6718 | RDKit |
| Molar Refractivity | 38.728500000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 163.02694302 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| 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 = 163.13 g/mol; density = 1.570 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H5NO3.
