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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
Names and Synonyms:
3-Methylbenzohydrazide
Benzoic acid, 3-methyl-, hydrazide
m-Toluic acid, hydrazide
3-Methylbenzhydrazide
m-Methylbenzoic acid hydrazide
(m-Methylbenzoyl)hydrazine
m-Toluic hydrazide
3-Methylbenzoic acid hydrazide
(3-Methylbenzoyl)hydrazine
m-Toluoylhydrazine
3-Methylbenzohydrazide
3-Methylbenzenecarboxylic acid hydrazide
m-Methylbenzoyl hydrazide
3-Methylbenzoic hydrazide
3-Toluic hydrazide
NSC 116189
Identifiers:
SMILES:
Cc1cccc(C(O)=NN)c1
InChI:
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
Key Properties
Melting Point
96-98 °C @ Solvent: Ethanol
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 | 150.18 g/mol | CAS Common Chemistry |
| 150.18099999999998 g/mol | RDKit | |
| 150.07931294 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 |
| Molar Refractivity | 44.53220000000001 | RDKit |
