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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
Names and Synonyms:
3-Amino-4-Hydroxybenzoic Acid Hydrazide
Benzoic acid, 3-amino-4-hydroxy-, hydrazide
3-Amino-4-hydroxybenzoic acid hydrazide
(3-Amino-4-hydroxybenzoyl)hydrazine
3-Amino-4-hydroxybenzhydrazide
3-Amino-4-hydroxybenzohydrazide
Identifiers:
SMILES:
NN=C(O)c1ccc(O)c(N)c1
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)
Key Properties
Melting Point
243 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 167.17 g/mol | CAS Common Chemistry |
| 167.16799999999998 g/mol | RDKit | |
| 167.069476528 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 |
| Molar Refractivity | 45.872400000000006 | RDKit |
