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4-Hydroxybenzoic Acid Hydrazide
CAS: 5351-23-5 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5351-23-5
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.153 g/mol
Names and Synonyms:
4-Hydroxybenzoic Acid Hydrazide
Benzoic acid, 4-hydroxy-, hydrazide
Benzoic acid, p-hydroxy-, hydrazide
(4-Hydroxybenzoyl)hydrazine
p-Hydroxybenzoic acid hydrazide
4-Hydroxybenzoic acid hydrazide
p-Hydroxybenzoic hydrazide
p-Hydroxybenzhydrazide
(p-Hydroxybenzoyl)hydrazine
4-Hydroxybenzohydrazide
p-Hydroxybenzoyl hydrazide
4-Hydroxybenzhydrazide
4-Hydroxybenzoyl hydrazide
NSC 647
INHd 25
p-Hydroxybenzohydrazide
Identifiers:
SMILES:
NNC(=O)c1ccc(O)cc1
InChI:
InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11)
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 | 152.15 g/mol | Legacy Database |
| cas-canonical-smile | O=C(NN)C1=CC=C(O)C=C1 | Legacy Database | |
| cas-inchi | InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-4,10H,8H2,(H,9,11) | Legacy Database | |
| cas-inchi-key | InChIKey=ZMZGIVVRBMFZSG-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 264-266 °C | Legacy Database | |
| cas-name | 4-Hydroxybenzoic acid hydrazide | Legacy Database | |
| LogP | -0.004300000000000248 | RDKit | |
| Molecular | Molecular Weight | 152.153 g/mol | RDKit |
| Exact | Exact Molecular Weight | 152.058577496 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 | 75.35 Ų | RDKit |
| Molar | Molar Refractivity | 39.76040000000001 | RDKit |
