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Molecule
4-Hydroxybenzamide
CAS: 619-57-8 · C7H7NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 619-57-8
- Molecular Formula
- C7H7NO2
- Molecular Mass
- 137.14 g/mol
Identifiers
CAS Registry Number
619-57-8
SMILES
NC(=O)c1ccc(O)cc1
InChI Key
QXSAKPUBHTZHKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10)
Names and Synonyms
- 4-Hydroxybenzamide Synonym
- Benzamide, 4-hydroxy- Synonym
- Benzamide, p-hydroxy- Synonym
- 4-Hydroxybenzamide Synonym
- p-Hydroxybenzamide Synonym
- SR 4328 Synonym
- p-Hydroxybenzoic acid amide Synonym
- NSC 524134 Synonym
- 4-Carbamoylphenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 137.14 g/mol | CAS Common Chemistry |
| 137.13799999999998 g/mol | RDKit | |
| 137.138 g/mol | RDKit | |
| Canonical SMILES | O=C(N)C1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9H,(H2,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=QXSAKPUBHTZHKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161-162 °C | CAS Common Chemistry |
| Name | 4-Hydroxybenzamide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.32000000000001 Ų | RDKit |
| 63.32 Ų | RDKit | |
| LogP | 0.49110000000000004 | RDKit |
| 0.4911 | RDKit | |
| Molar Refractivity | 36.62470000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 137.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 137.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO2.
