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Acrylic Anhydride
CAS: 2051-76-5 | C6H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2051-76-5
- Molecular Formula
- C6H6O3
- Molecular Mass
- 126.11 g/mol
Identifiers
CAS Registry Number
2051-76-5
SMILES
C=CC(=O)OC(=O)C=C
InChI Key
ARJOQCYCJMAIFR-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2
Names and Synonyms
- Acrylic Anhydride Synonym
- 2-Propenoic acid, 1,1′-anhydride Synonym
- Acrylic anhydride Synonym
- 2-Propenoic acid, anhydride Synonym
- Acrylic acid anhydride Synonym
- NSC 32616 Synonym
- Diacrylic acid anhydride Synonym
- Prop-2-enoyl prop-2-enoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.11 g/mol | CAS Common Chemistry |
| 126.11099999999998 g/mol | RDKit | |
| 126.111 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(=O)C=C)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H6O3/c1-3-5(7)9-6(8)4-2/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ARJOQCYCJMAIFR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20 °C | CAS Common Chemistry |
| Name | Acrylic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 0.4281999999999999 | RDKit |
| 0.4282 | RDKit | |
| 0.4 | chempirical lib | |
| Molar Refractivity | 31.492999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 126.031694052 g/mol | RDKit |
| Boiling Point | 60-66 °C @ 10-12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Related
Related molecules
Other compounds with formula C6H6O3.
