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Molecule
4-Meta
CAS: 70293-55-9 · C15H12O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 70293-55-9
- Molecular Formula
- C15H12O7
- Molecular Mass
- 304.25 g/mol
Identifiers
CAS Registry Number
70293-55-9
SMILES
C=C(C)C(=O)OCCOC(=O)c1ccc2c(c1)C(=O)OC2=O
InChI Key
RMCCONIRBZIDTH-UHFFFAOYSA-N
InChI
InChI=1S/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3
Names and Synonyms
- 4-Meta Systematic Name
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 2-[(2-methyl-1-oxo-2-propen-1-yl)oxy]ethyl ester Synonym
- 5-Isobenzofurancarboxylic acid, 1,3-dihydro-1,3-dioxo-, 2-[(2-methyl-1-oxo-2-propenyl)oxy]ethyl ester Synonym
- 4-(2-Methacryloyloxyethyl)trimellitic anhydride Synonym
- 4-META Synonym
- 4-Methacryloyloxyethyl trimellitic anhydride Synonym
- Metafast Synonym
- 4-Methacryloxyethyl trimellitic anhydride Synonym
- 4-Methacryloxyethyl trimellitic acid anhydride Synonym
- QJ 5053 Synonym
- 2-(Methacryloyloxy)ethyl1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylate Synonym
- 2-(2-Methylprop-2-enoyloxy)ethyl 1,3-dioxo-2-benzofuran-5-carboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.25 g/mol | CAS Common Chemistry |
| 304.2540000000001 g/mol | RDKit | |
| 304.254 g/mol | RDKit | |
| Canonical SMILES | O=C1OC(=O)C2=CC(=CC=C12)C(=O)OCCOC(=O)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H12O7/c1-8(2)12(16)20-5-6-21-13(17)9-3-4-10-11(7-9)15(19)22-14(10)18/h3-4,7H,1,5-6H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RMCCONIRBZIDTH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-META | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.97 Ų | RDKit |
| LogP | 1.2733 | RDKit |
| Molar Refractivity | 72.24350000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 304.058302724 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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 = 304.25 g/mol. Edit any field — others recompute live.
