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P-Acetoxyacetanilide
CAS: 2623-33-8 | C10H11NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2623-33-8
Molecular Formula:
C10H11NO3
Molecular Mass:
193.20 g/mol
Names and Synonyms:
P-Acetoxyacetanilide
Acetamide, N-[4-(acetyloxy)phenyl]-
Acetanilide, 4′-hydroxy-, acetate (ester)
Acetanilide, 4′-hydroxy-, acetate
N-[4-(Acetyloxy)phenyl]acetamide
4-Acetamidophenyl acetate
Acetaminophen acetate
p-Acetoxyacetanilide
Diacetamate
4′-Acetoxyacetanilide
N-Acetyl-4-aminophenyl acetate
p-Acetamidophenyl acetate
NSC 33893
NSC 6083
N-(4-Acetoxyphenyl)acetamide
O-Acetylparacetamol
4-Acetylaminophenyl acetate
Identifiers:
SMILES:
CC(=O)Oc1ccc(N=C(C)O)cc1
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)
Key Properties
Melting Point
151.5-152.5 °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 | 193.20 g/mol | CAS Common Chemistry |
| 193.202 g/mol | RDKit | |
| 193.073893212 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 |
| Melting Point | 151.5-152.5 °C | 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 | RDKit |
