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3-Hydroxybenzophenone
CAS: 13020-57-0 | C13H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13020-57-0
Molecular Formula:
C13H10O2
Molecular Mass:
198.22 g/mol
Names and Synonyms:
3-Hydroxybenzophenone
Methanone, (3-hydroxyphenyl)phenyl-
Benzophenone, 3-hydroxy-
(3-Hydroxyphenyl)phenylmethanone
m-Hydroxybenzophenone
3-Hydroxybenzophenone
3-Benzoylphenol
Identifiers:
SMILES:
O=C(c1ccccc1)c1cccc(O)c1
InChI:
InChI=1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H
Key Properties
Melting Point
115 °C @ Solvent: Water, 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 | 198.22 g/mol | CAS Common Chemistry |
| 198.221 g/mol | RDKit | |
| 198.06807956 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C=2C=CC=C(O)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H | CAS Common Chemistry |
| InChI Key | InChIKey=SHULEACXTONYPS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | 3-Hydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 2.6232000000000006 | RDKit |
| Molar Refractivity | 57.981300000000026 | RDKit |
