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Salicylhydroxamic Acid
CAS: 89-73-6 | C7H7NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
89-73-6
Molecular Formula:
C7H7NO3
Molecular Weight:
153.13699999999997 g/mol
Names and Synonyms:
Salicylhydroxamic Acid
Benzamide, N,2-dihydroxy-
Salicylohydroxamic acid
N,2-Dihydroxybenzamide
2-Hydroxybenzohydroxamic acid
SHA
o-Hydroxybenzohydroxamic acid
2-Hydroxyphenylhydroxamic acid
SHAM
N-Salicylhydroxamic acid
2-Hydroxybenzenehydroxamic acid
Salicylhydroxamic acid
NSC 193440
NSC 5088
1-N-Hydroxy2-hydroxybenzene-1-carboximidic acid
Identifiers:
SMILES:
ON=C(O)c1ccccc1O
InChI:
InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 153.14 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Salicylhydroxamic_acid | Legacy Database | |
| cas-canonical-smile | O=C(NO)C=1C=CC=CC1O | Legacy Database | |
| cas-inchi | InChI=1S/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10) | Legacy Database | |
| cas-inchi-key | InChIKey=HBROZNQEVUILML-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 168 °C | Legacy Database | |
| cas-name | Salicylhydroxamic acid | Legacy Database | |
| wikipedia-name | Salicylhydroxamic acid | Legacy Database | |
| LogP | 1.0859999999999999 | RDKit | |
| Molecular | Molecular Weight | 153.13699999999997 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.042593084 g/mol | RDKit |
| Heavy | Heavy Atom Count | 11 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 1 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 73.05000000000001 Ų | RDKit |
| Molar | Molar Refractivity | 39.059100000000015 | RDKit |
