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Molecule
Salicylhydroxamic Acid
CAS: 89-73-6 · C7H7NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 89-73-6
- Molecular Formula
- C7H7NO3
- Molecular Mass
- 153.14 g/mol
Identifiers
CAS Registry Number
89-73-6
SMILES
ON=C(O)c1ccccc1O
InChI Key
HBROZNQEVUILML-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
Names and Synonyms
- Salicylhydroxamic Acid Synonym
- Benzamide, N,2-dihydroxy- Synonym
- Salicylohydroxamic acid Synonym
- N,2-Dihydroxybenzamide Synonym
- 2-Hydroxybenzohydroxamic acid Synonym
- SHA Synonym
- o-Hydroxybenzohydroxamic acid Synonym
- 2-Hydroxyphenylhydroxamic acid Synonym
- SHAM Synonym
- N-Salicylhydroxamic acid Synonym
- 2-Hydroxybenzenehydroxamic acid Synonym
- Salicylhydroxamic acid Synonym
- NSC 193440 Synonym
- NSC 5088 Synonym
- 1-N-Hydroxy2-hydroxybenzene-1-carboximidic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.14 g/mol | CAS Common Chemistry |
| 153.13699999999997 g/mol | RDKit | |
| 153.137 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Salicylhydroxamic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(NO)C=1C=CC=CC1O | CAS Common Chemistry |
| InChI | InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) | CAS Common Chemistry |
| InChI Key | InChIKey=HBROZNQEVUILML-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | Salicylhydroxamic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 73.05000000000001 Ų | RDKit |
| 73.05 Ų | RDKit | |
| LogP | 1.0859999999999999 | RDKit |
| 1.086 | RDKit | |
| Molar Refractivity | 39.059100000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 153.042593084 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| 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 = 153.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7NO3.
