4-Methylbenzene-1,3-dicarboxylic acid
4-methylbenzene-1,3-dicarboxylic acid
Also Known As: 4-Methylisophthalic acid|4-Methyl-isophthalic acid|4-methylbenzene-1,3-dicarboxylic acid|4-Methylisophthalsaure|1,3-Benzenedicarboxylic acid, 4-methyl-|4-Methylisophthalicacid|Isophthalic acid, 4-methyl-|4-methylisophthalaldehyde|5-Methylisophthalic acid|2,4-Toluenedicarboxylic acid|2889AJ|4-Methyl-1,3-benzenedicarboxylic Acid|W-2591|963-906-3
| Molecular Formula | C9H8O4 |
|---|---|
| Molecular Weight | 180.04225 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.04225 |
| Monoisotopic Mass | 180.04225 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 3347-99-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)C(=O)O |
| InChIKey | PNWSHHILERSSLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methylbenzene-1,3-dicarboxylic acid (CAS 3347-99-7), with molecular formula C9H8O4 and molecular weight 180.04225 g/mol. IUPAC: 4-methylbenzene-1,3-dicarboxylic acid.
4-Methylbenzene-1,3-dicarboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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