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2′-Hydroxyacetophenone
CAS: 118-93-4 | C8H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
118-93-4
Molecular Formula:
C8H8O2
Molecular Mass:
136.15 g/mol
Names and Synonyms:
2′-Hydroxyacetophenone
Ethanone, 1-(2-hydroxyphenyl)-
Acetophenone, 2′-hydroxy-
Acetophenone, o-hydroxy-
1-(2-Hydroxyphenyl)ethanone
o-Hydroxyacetophenone
2′-Hydroxyacetophenone
o-Acetylphenol
2-Acetylphenol
o-Hydroxyphenyl methyl ketone
2-Hydroxyphenyl methyl ketone
2-Hydroxyacetophenone
Methyl 2-hydroxyphenyl ketone
2-Hydroxyphenylethanone
NSC 16933
NSC 44452
NSC 83568
NSC 9263
o-Hydroxyhypnone
1-(6-Hydroxyphenyl)ethanone
1-(2-Hydroxyphenyl)ethan-1-one
1-Acetyl-2-hydroxybenzene
Identifiers:
SMILES:
CC(=O)c1ccccc1O
InChI:
InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3
Key Properties
Boiling Point
218 °C
CAS Common Chemistry
Melting Point
5 °C
CAS Common Chemistry
Density
1.13 g/cm³
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 | 136.15 g/mol | CAS Common Chemistry |
| 136.14999999999998 g/mol | RDKit | |
| 136.052429496 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1326 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 218 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(C=1C=CC=CC1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H8O2/c1-6(9)7-4-2-3-5-8(7)10/h2-5,10H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JECYUBVRTQDVAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | 2′-Hydroxyacetophenone | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.5948 | RDKit |
| Molar Refractivity | 38.111300000000014 | RDKit |
