Benzene-1,3,5-triacetic acid
2-[3,5-bis(carboxymethyl)phenyl]acetic acid
Also Known As: Benzene-1,3,5-triacetic acid|1,3,5-Benzenetriacetic acid|2,2',2''-(Benzene-1,3,5-triyl)triacetic acid|1,3,5-Tris(carboxymethyl)benzene|ACMC-20alqe|2-[3,5-bis(carboxymethyl)phenyl]acetic acid|1,5-Benzenetriacetic acid|YSZC122|1,3,5-Benzenetrisacetic acid|1 3 5-BENZENETRIACETIC ACID|6104AB|RW1788|XH1437|2,2',2''-(Benzene-1,3,5-triyl)triaceticacid|Benzene-1,3,5-triacetic acid - 25G 25g|[3,5-BIS(CARBOXYMETHYL)PHENYL]ACETIC ACID|Benzene-1,3,5-triacetic acid, >=97.0% (T)|4-(carboxymethylamino)benzene-1,3-dicarboxylic acid|I01-7912|1,3,5-Benzenetriacetic acid;2,2',2''-(Benzene-1,3,5-triyl)triacetic acid
| Molecular Formula | C12H12O6 |
|---|---|
| Molecular Weight | 252.06339 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.06339 |
| Monoisotopic Mass | 252.06339 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 4435-99-8 |
|---|---|
| SMILES | C1=C(C=C(C=C1CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | AJEIBHNKBLRDNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene-1,3,5-triacetic acid (CAS 4435-99-8), with molecular formula C12H12O6 and molecular weight 252.06339 g/mol. IUPAC: 2-[3,5-bis(carboxymethyl)phenyl]acetic acid.