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Molecule
2,4-Dihydroxy-N-(2-Hydroxyethyl)Benzamide
CAS: 24207-41-8 · C9H11NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 24207-41-8
- Molecular Formula
- C9H11NO4
- Molecular Mass
- 197.19 g/mol
Identifiers
CAS Registry Number
24207-41-8
SMILES
OCCN=C(O)c1ccc(O)cc1O
InChI Key
HHSJOVPBCHTADG-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)
Names and Synonyms
- 2,4-Dihydroxy-N-(2-Hydroxyethyl)Benzamide Synonym
- β-Resorcylamide, N-(2-hydroxyethyl)- Synonym
- Benzamide, 2,4-dihydroxy-N-(2-hydroxyethyl)- Synonym
- 2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide Synonym
- N-(β-Hydroxyethyl)-β-resorcylamide Synonym
- 2,4-Resorcylic acid ethanolamide Synonym
- β-Resorcylic ethanolamide Synonym
- Coupler RX Synonym
- NSC 379528 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 197.19 g/mol | CAS Common Chemistry |
| 197.18999999999997 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCO)C1=CC=C(O)C=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14) | CAS Common Chemistry |
| InChI Key | InChIKey=HHSJOVPBCHTADG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | 2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 93.28000000000002 Ų | RDKit |
| 93.28 Ų | RDKit | |
| LogP | 0.3946999999999999 | RDKit |
| 0.3947 | RDKit | |
| Molar Refractivity | 50.89020000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 197.068807832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 197.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H11NO4.
