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(4-Hydroxyphenyl)Acetamide
CAS: 17194-82-0 | C8H9NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17194-82-0
Molecular Formula:
C8H9NO2
Molecular Mass:
151.17 g/mol
Names and Synonyms:
(4-Hydroxyphenyl)Acetamide
Benzeneacetamide, 4-hydroxy-
Acetamide, 2-(p-hydroxyphenyl)-
4-Hydroxybenzeneacetamide
(4-Hydroxyphenyl)acetamide
2-(p-Hydroxyphenyl)acetamide
p-(Carbamoylmethyl)phenol
(p-Hydroxyphenyl)acetamide
2-(4-Hydroxyphenyl)acetamide
NSC 187193
Identifiers:
SMILES:
N=C(O)Cc1ccc(O)cc1
InChI:
InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
Key Properties
Melting Point
168-172 °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 | 151.17 g/mol | CAS Common Chemistry |
| 151.165 g/mol | RDKit | |
| 151.063328528 g/mol | RDKit | |
| Canonical SMILES | O=C(N)CC1=CC=C(O)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=YBPAYPRLUDCSEY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-172 °C | CAS Common Chemistry |
| Name | (4-Hydroxyphenyl)acetamide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 64.31 Ų | RDKit |
| LogP | 1.46997 | RDKit |
| Molar Refractivity | 42.16630000000002 | RDKit |
