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Benzilic Acid
CAS: 76-93-7 | C14H12O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-93-7
Molecular Formula:
C14H12O3
Molecular Mass:
228.25 g/mol
Names and Synonyms:
Benzilic Acid
Benzeneacetic acid, α-hydroxy-α-phenyl-
Benzilic acid
α-Hydroxy-α-phenylbenzeneacetic acid
Diphenylglycolic acid
Diphenylhydroxyacetic acid
α-Hydroxy-2,2-diphenylacetic acid
α,α-Diphenyl-α-hydroxyacetic acid
Hydroxydiphenylacetic acid
α,α-Diphenylglycolic acid
2-Hydroxy-2,2-diphenylacetic acid
2,2-Diphenyl-2-hydroxyacetic acid
α-Hydroxydiphenylacetic acid
NSC 2830
2,2-Diphenylglycolic acid
2,2-Diphenyl-2-hydroxyethanoic acid
Benzilate
Benzilates
Identifiers:
SMILES:
O=C(O)C(O)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)
Key Properties
Boiling Point
187 °C
CAS Common Chemistry
Melting Point
151 °C
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 | 228.25 g/mol | CAS Common Chemistry |
| 228.247 g/mol | RDKit | |
| 228.07864424399997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Benzilic_acid | CAS Common Chemistry |
| Boiling Point | 187 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(O)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=UKXSKSHDVLQNKG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 151 °C | CAS Common Chemistry |
| Name | Benzilic acid | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.0071000000000003 | RDKit |
| Molar Refractivity | 63.518600000000035 | RDKit |
