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Molecule
3-Methylbenzohydrazide
CAS: 13050-47-0 · C8H10N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13050-47-0
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
13050-47-0
SMILES
Cc1cccc(C(O)=NN)c1
InChI Key
XFNNAMBYJSQXKF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- 3-Methylbenzohydrazide Systematic Name
- Benzoic acid, 3-methyl-, hydrazide Synonym
- m-Toluic acid, hydrazide Synonym
- 3-Methylbenzhydrazide Synonym
- m-Methylbenzoic acid hydrazide Synonym
- (m-Methylbenzoyl)hydrazine Synonym
- m-Toluic hydrazide Synonym
- 3-Methylbenzoic acid hydrazide Synonym
- (3-Methylbenzoyl)hydrazine Synonym
- m-Toluoylhydrazine Synonym
- 3-Methylbenzohydrazide Synonym
- 3-Methylbenzenecarboxylic acid hydrazide Synonym
- m-Methylbenzoyl hydrazide Synonym
- 3-Methylbenzoic hydrazide Synonym
- 3-Toluic hydrazide Synonym
- NSC 116189 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.181 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=CC=CC(=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=XFNNAMBYJSQXKF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 96-98 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 3-Methylbenzohydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.17332 | RDKit |
| 1.1733 | RDKit | |
| Molar Refractivity | 44.53220000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 150.07931294 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 = 150.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O.
