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Molecule
3-Amino-4-Hydroxybenzoic Acid Hydrazide
CAS: 7450-57-9 · C7H9N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7450-57-9
- Molecular Formula
- C7H9N3O2
- Molecular Mass
- 167.17 g/mol
Identifiers
CAS Registry Number
7450-57-9
SMILES
NN=C(O)c1ccc(O)c(N)c1
InChI Key
KNKNIBYXWQUDIH-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12)
Names and Synonyms
- 3-Amino-4-Hydroxybenzoic Acid Hydrazide Systematic Name
- Benzoic acid, 3-amino-4-hydroxy-, hydrazide Synonym
- 3-Amino-4-hydroxybenzoic acid hydrazide Synonym
- (3-Amino-4-hydroxybenzoyl)hydrazine Synonym
- 3-Amino-4-hydroxybenzhydrazide Synonym
- 3-Amino-4-hydroxybenzohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.17 g/mol | CAS Common Chemistry |
| 167.16799999999998 g/mol | RDKit | |
| 167.168 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=C(O)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H9N3O2/c8-5-3-4(7(12)10-9)1-2-6(5)11/h1-3,11H,8-9H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=KNKNIBYXWQUDIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 243 °C (decomp) | CAS Common Chemistry |
| Name | 3-Amino-4-hydroxybenzoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 104.86 Ų | RDKit |
| LogP | 0.15269999999999995 | RDKit |
| 0.1527 | RDKit | |
| Molar Refractivity | 45.872400000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 167.069476528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
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200 ppm
180
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| 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 = 167.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9N3O2.
