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Molecule
1,4-Diacetoxybenzene
CAS: 1205-91-0 · C10H10O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1205-91-0
- Molecular Formula
- C10H10O4
- Molecular Mass
- 194.19 g/mol
Identifiers
CAS Registry Number
1205-91-0
SMILES
CC(=O)Oc1ccc(OC(C)=O)cc1
InChI Key
AKOGNYJNGMLDOA-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3
Names and Synonyms
- 1,4-Diacetoxybenzene Synonym
- 1,4-Benzenediol, 1,4-diacetate Synonym
- Hydroquinone, diacetate Synonym
- 1,4-Benzenediol, diacetate Synonym
- 1,4-Diacetoxybenzene Synonym
- p-Acetoxyphenyl acetate Synonym
- p-Phenylene diacetate Synonym
- 4-Acetoxyphenyl acetate Synonym
- 1,4-Hydroquinone diacetate Synonym
- p-Dihydroxybenzene diacetate Synonym
- NSC 9277 Synonym
- Benzene-1,4-diacetate Synonym
- p-Diacetoxybenzene Synonym
- (4-Acetyloxyphenyl) acetate Synonym
- Phenol, 4-[(1-methylethenyl)oxy]-, 1-acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.19 g/mol | CAS Common Chemistry |
| 194.18599999999998 g/mol | RDKit | |
| 194.186 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1=CC=C(OC(=O)C)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H10O4/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AKOGNYJNGMLDOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 123.5 °C | CAS Common Chemistry |
| Name | 1,4-Diacetoxybenzene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 1.5372 | RDKit |
| Molar Refractivity | 49.060000000000024 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 194.0579088 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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 = 194.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C10H10O4.
