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Molecule
3-Hydroxybenzohydrazide
CAS: 5818-06-4 · C7H8N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5818-06-4
- Molecular Formula
- C7H8N2O2
- Molecular Mass
- 152.15 g/mol
Identifiers
CAS Registry Number
5818-06-4
SMILES
NN=C(O)c1cccc(O)c1
InChI Key
OACGSLLKFCMXSX-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11)
Names and Synonyms
- 3-Hydroxybenzohydrazide Systematic Name
- Benzoic acid, 3-hydroxy-, hydrazide Synonym
- Benzoic acid, m-hydroxy-, hydrazide Synonym
- m-Hydroxybenzoic acid hydrazide Synonym
- 3-Hydroxybenzoic acid hydrazide Synonym
- (3-Hydroxybenzoyl)hydrazine Synonym
- m-Hydroxybenzhydrazide Synonym
- 3-Hydroxybenzohydrazide Synonym
- 3-Hydroxybenzoylhydrazide Synonym
- m-Hydroxybenzoic hydrazide Synonym
- m-Hydroxybenzoylhydrazide Synonym
- m-Hydroxybenzoylhydrazine Synonym
- 3-Hydroxybenzhydrazide Synonym
- 3-Hydroxybenzoic hydrazide Synonym
- m-Hydroxybenzohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=C(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c8-9-7(11)5-2-1-3-6(10)4-5/h1-4,10H,8H2,(H,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=OACGSLLKFCMXSX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 240 °C | CAS Common Chemistry |
| Name | 3-Hydroxybenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.84 Ų | RDKit |
| LogP | 0.5705 | RDKit |
| Molar Refractivity | 41.46000000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 152.058577496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 152.15 g/mol. Edit any field — others recompute live.
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