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3,4-Dihydroxybenzophenone
CAS: 10425-11-3 | C13H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10425-11-3
Molecular Formula:
C13H10O3
Molecular Mass:
214.22 g/mol
Names and Synonyms:
3,4-Dihydroxybenzophenone
Methanone, (3,4-dihydroxyphenyl)phenyl-
Benzophenone, 3,4-dihydroxy-
(3,4-Dihydroxyphenyl)phenylmethanone
3,4-Dihydroxybenzophenone
Identifiers:
SMILES:
O=C(c1ccccc1)c1ccc(O)c(O)c1
InChI:
InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H
Key Properties
Melting Point
134 °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 | 214.22 g/mol | CAS Common Chemistry |
| 214.06299418 g/mol | RDKit | |
| Canonical SMILES | O=C(C=1C=CC=CC1)C2=CC=C(O)C(O)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10O3/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,14-15H | CAS Common Chemistry |
| InChI Key | InChIKey=ARWCZKJISXFBGI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 134 °C | CAS Common Chemistry |
| Name | 3,4-Dihydroxybenzophenone | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 2.328800000000001 | RDKit |
| Molar Refractivity | 59.646100000000025 | RDKit |
