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Molecule
2-Methylbenzohydrazide
CAS: 7658-80-2 · C8H10N2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7658-80-2
- Molecular Formula
- C8H10N2O
- Molecular Mass
- 150.18 g/mol
Identifiers
CAS Registry Number
7658-80-2
SMILES
Cc1ccccc1C(O)=NN
InChI Key
KFXLXEQCRFGDRU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Names and Synonyms
- 2-Methylbenzohydrazide Synonym
- Benzoic acid, 2-methyl-, hydrazide Synonym
- o-Toluic acid, hydrazide Synonym
- (o-Methylbenzoyl)hydrazine Synonym
- o-Methylbenzoic acid hydrazide Synonym
- 2-Methylbenzoic acid hydrazide Synonym
- (2-Methylbenzoyl)hydrazine Synonym
- o-Toluoylhydrazine Synonym
- 2-Methylbenzohydrazide Synonym
- 2-Methylbenzenecarboxylic acid hydrazide Synonym
- o-Methylbenzoyl hydrazide Synonym
- 2-Toluoylhydrazine Synonym
- 2-Methylbenzoic hydrazide Synonym
- o-Toluic hydrazide Synonym
- NSC 61566 Synonym
- 2-Methylbenzocarbohydrazide 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)C=1C=CC=CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O/c1-6-4-2-3-5-7(6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=KFXLXEQCRFGDRU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C | CAS Common Chemistry |
| Name | 2-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.
