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Molecule
Tetramethyl Pyromellitate
CAS: 635-10-9 · C14H14O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 635-10-9
- Molecular Formula
- C14H14O8
- Molecular Mass
- 310.26 g/mol
Identifiers
CAS Registry Number
635-10-9
SMILES
COC(=O)c1cc(C(=O)OC)c(C(=O)OC)cc1C(=O)OC
InChI Key
QVEIFJBUBJUUMB-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3
Names and Synonyms
- Tetramethyl Pyromellitate Common Name
- 1,2,4,5-Benzenetetracarboxylic acid, 1,2,4,5-tetramethyl ester Synonym
- 1,2,4,5-Benzenetetracarboxylic acid, tetramethyl ester Synonym
- Pyromellitic acid tetramethyl ester Synonym
- Tetramethyl pyromellitate Synonym
- Tetramethyl 1,2,4,5-benzenetetracarboxylate Synonym
- 1,2,4,5-Tetrakis(methoxycarbonyl)benzene Synonym
- NSC 4188 Synonym
- 1,2,4,5-Tetramethyl benzene-1,2,4,5-tetracarboxylate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 310.26 g/mol | CAS Common Chemistry |
| 310.25800000000004 g/mol | RDKit | |
| 310.258 g/mol | RDKit | |
| Canonical SMILES | O=C(OC)C=1C=C(C(=O)OC)C(=CC1C(=O)OC)C(=O)OC | CAS Common Chemistry |
| InChI | InChI=1S/C14H14O8/c1-19-11(15)7-5-9(13(17)21-3)10(14(18)22-4)6-8(7)12(16)20-2/h5-6H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QVEIFJBUBJUUMB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 144 °C | CAS Common Chemistry |
| Name | Tetramethyl pyromellitate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.20000000000003 Ų | RDKit |
| 105.2 Ų | RDKit | |
| LogP | 0.833 | RDKit |
| 0.87 | chempirical lib | |
| Molar Refractivity | 71.80000000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 310.06886740799996 g/mol | RDKit |
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.
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MW = 310.26 g/mol. Edit any field — others recompute live.
