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Molecule
Octanohydroxamic Acid
CAS: 7377-03-9 · C8H17NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7377-03-9
- Molecular Formula
- C8H17NO2
- Molecular Mass
- 159.23 g/mol
Identifiers
CAS Registry Number
7377-03-9
SMILES
CCCCCCCC(O)=NO
InChI Key
RGUVUPQQFXCJFC-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10)
Names and Synonyms
- Octanohydroxamic Acid Synonym
- Octanamide, N-hydroxy- Synonym
- Octanohydroxamic acid Synonym
- N-Hydroxyoctanamide Synonym
- Caprylohydroxamic acid Synonym
- Octanoylhydroxamic acid Synonym
- Taselin Synonym
- Decoyl hydroxamic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 159.23 g/mol | CAS Common Chemistry |
| 159.229 g/mol | RDKit | |
| Canonical SMILES | O=C(NO)CCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO2/c1-2-3-4-5-6-7-8(10)9-11/h11H,2-7H2,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=RGUVUPQQFXCJFC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 78.75 °C | CAS Common Chemistry |
| Name | Octanohydroxamic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 2.6926000000000005 | RDKit |
| 2.6926 | RDKit | |
| Molar Refractivity | 45.22630000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 159.125928784 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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 = 159.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H17NO2.
