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Hydroxy(Phenyl)Acetic Acid Hydrazide
CAS: 2443-66-5 | C8H10N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2443-66-5
Molecular Formula:
C8H10N2O2
Molecular Mass:
166.18 g/mol
Names and Synonyms:
Hydroxy(Phenyl)Acetic Acid Hydrazide
Benzeneacetic acid, α-hydroxy-, hydrazide
Mandelic acid, hydrazide
Mandelohydrazide
DL-Hydroxy(phenyl)acetic acid hydrazide
Hydroxy(phenyl)acetohydrazide
Hydroxy(phenyl)acetic acid hydrazide
INHd 34
2-Hydroxy-2-phenylacetohydrazide
Identifiers:
SMILES:
NN=C(O)C(O)c1ccccc1
InChI:
InChI=1S/C8H10N2O2/c9-10-8(12)7(11)6-4-2-1-3-5-6/h1-5,7,11H,9H2,(H,10,12)
Key Properties
Melting Point
132-133 °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 | 166.18 g/mol | CAS Common Chemistry |
| 166.17999999999998 g/mol | RDKit | |
| 166.07422756 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C(O)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10N2O2/c9-10-8(12)7(11)6-4-2-1-3-5-6/h1-5,7,11H,9H2,(H,10,12) | CAS Common Chemistry |
| InChI Key | InChIKey=FWTGUGVETHVGTL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 132-133 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Hydroxy(phenyl)acetic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.84 Ų | RDKit |
| LogP | 0.5502 | RDKit |
| Molar Refractivity | 45.65300000000001 | RDKit |
