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Molecule
Hydroxy(Phenyl)Acetic Acid Hydrazide
CAS: 2443-66-5 · C8H10N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2443-66-5
- Molecular Formula
- C8H10N2O2
- Molecular Mass
- 166.18 g/mol
Identifiers
CAS Registry Number
2443-66-5
SMILES
NN=C(O)C(O)c1ccccc1
InChI Key
FWTGUGVETHVGTL-UHFFFAOYSA-N
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)
Names and Synonyms
- Hydroxy(Phenyl)Acetic Acid Hydrazide Synonym
- Benzeneacetic acid, α-hydroxy-, hydrazide Synonym
- Mandelic acid, hydrazide Synonym
- Mandelohydrazide Synonym
- DL-Hydroxy(phenyl)acetic acid hydrazide Synonym
- Hydroxy(phenyl)acetohydrazide Synonym
- Hydroxy(phenyl)acetic acid hydrazide Synonym
- INHd 34 Synonym
- 2-Hydroxy-2-phenylacetohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 166.18 g/mol | CAS Common Chemistry |
| 166.17999999999998 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 166.07422756 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 = 166.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10N2O2.
