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Molecule
(4-Hydroxyphenyl)Acetamide
CAS: 17194-82-0 · C8H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17194-82-0
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
17194-82-0
SMILES
N=C(O)Cc1ccc(O)cc1
InChI Key
YBPAYPRLUDCSEY-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4,10H,5H2,(H2,9,11)
Names and Synonyms
- (4-Hydroxyphenyl)Acetamide Synonym
- Benzeneacetamide, 4-hydroxy- Synonym
- Acetamide, 2-(p-hydroxyphenyl)- Synonym
- 4-Hydroxybenzeneacetamide Synonym
- (4-Hydroxyphenyl)acetamide Synonym
- 2-(p-Hydroxyphenyl)acetamide Synonym
- p-(Carbamoylmethyl)phenol Synonym
- (p-Hydroxyphenyl)acetamide Synonym
- 2-(4-Hydroxyphenyl)acetamide Synonym
- NSC 187193 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.165 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 |
| 1.47 | RDKit | |
| Molar Refractivity | 42.16630000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| 0.12 | chempirical lib | |
| Exact Mass | 151.063328528 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 151.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9NO2.
