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[1,1′-Biphenyl]-4-Ol, 4-Acetate
CAS: 148-86-7 | C14H12O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
148-86-7
Molecular Formula:
C14H12O2
Molecular Mass:
212.25 g/mol
Names and Synonyms:
[1,1′-Biphenyl]-4-Ol, 4-Acetate
[1,1′-Biphenyl]-4-ol, 4-acetate
4-Biphenylol, acetate
[1,1′-Biphenyl]-4-ol, acetate
Phenol, p-phenyl-, acetate
p-Phenylphenyl acetate
4-Acetoxybiphenyl
4-Biphenylyl acetate
p-Biphenol acetate
[1,1′-Biphenyl]-4-yl acetate
p-Phenylphenol acetate
NSC 404087
4-Acetoxy-1,1′-biphenyl
(4-Phenylphenyl) acetate
Identifiers:
SMILES:
CC(=O)Oc1ccc(-c2ccccc2)cc1
InChI:
InChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3
Key Properties
Melting Point
89 °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 | 212.25 g/mol | CAS Common Chemistry |
| 212.24800000000002 g/mol | RDKit | |
| 212.083729624 g/mol | RDKit | |
| Canonical SMILES | O=C(OC=1C=CC(=CC1)C=2C=CC=CC2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H12O2/c1-11(15)16-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MISFQCBPASYYGV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | [1,1′-Biphenyl]-4-ol, 4-acetate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.3 Ų | RDKit |
| LogP | 3.278900000000002 | RDKit |
| Molar Refractivity | 63.18700000000003 | RDKit |
