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Molecule
2-Acetamidophenol
CAS: 614-80-2 · C8H9NO2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 614-80-2
- Molecular Formula
- C8H9NO2
- Molecular Mass
- 151.17 g/mol
Identifiers
CAS Registry Number
614-80-2
SMILES
CC(O)=Nc1ccccc1O
InChI Key
ADVGKWPZRIDURE-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
Names and Synonyms
- 2-Acetamidophenol Systematic Name
- Acetamide, N-(2-hydroxyphenyl)- Synonym
- Acetanilide, 2′-hydroxy- Synonym
- Acetanilide, o-hydroxy- Synonym
- N-(2-Hydroxyphenyl)acetamide Synonym
- 2′-Hydroxyacetanilide Synonym
- o-Acetamidophenol Synonym
- 2-Acetamidophenol Synonym
- N-Acetyl-o-aminophenol Synonym
- 2-(Acetylamino)phenol Synonym
- o-(Acetylamino)phenol Synonym
- 2-Acetaminophenol Synonym
- o-Hydroxyacetanilide Synonym
- o-Acetaminophenol Synonym
- N-Acetyl-2-aminophenol Synonym
- 2-(N-Acetylamino)phenol Synonym
- 2-Hydroxyacetanilide Synonym
- NSC 3989 Synonym
- Orthocetamol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.17 g/mol | CAS Common Chemistry |
| 151.16499999999996 g/mol | RDKit | |
| 151.165 g/mol | RDKit | |
| Canonical SMILES | O=C(NC=1C=CC=CC1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=ADVGKWPZRIDURE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208 °C | CAS Common Chemistry |
| Name | 2-Acetamidophenol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.82000000000001 Ų | RDKit |
| 52.82 Ų | RDKit | |
| LogP | 2.0001 | RDKit |
| Molar Refractivity | 43.504600000000025 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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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
