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Molecule
P-Acetoxyacetanilide
CAS: 2623-33-8 · C10H11NO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2623-33-8
- Molecular Formula
- C10H11NO3
- Molecular Mass
- 193.20 g/mol
Identifiers
CAS Registry Number
2623-33-8
SMILES
CC(=O)Oc1ccc(N=C(C)O)cc1
InChI Key
UJAOSPFULOFZRR-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)
Names and Synonyms
- P-Acetoxyacetanilide Synonym
- Acetamide, N-[4-(acetyloxy)phenyl]- Synonym
- Acetanilide, 4′-hydroxy-, acetate (ester) Synonym
- Acetanilide, 4′-hydroxy-, acetate Synonym
- N-[4-(Acetyloxy)phenyl]acetamide Synonym
- 4-Acetamidophenyl acetate Synonym
- Acetaminophen acetate Synonym
- p-Acetoxyacetanilide Synonym
- Diacetamate Synonym
- 4′-Acetoxyacetanilide Synonym
- N-Acetyl-4-aminophenyl acetate Synonym
- p-Acetamidophenyl acetate Synonym
- NSC 33893 Synonym
- NSC 6083 Synonym
- N-(4-Acetoxyphenyl)acetamide Synonym
- O-Acetylparacetamol Synonym
- 4-Acetylaminophenyl acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 151.5-152.5 °C | CAS Common Chemistry |
| Molecular Mass | 193.20 g/mol | CAS Common Chemistry |
| 193.202 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(C=C1)NC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=UJAOSPFULOFZRR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | p-Acetoxyacetanilide | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 2.2198 | RDKit |
| Molar Refractivity | 53.14880000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 193.073893212 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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140
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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 = 193.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H11NO3.
