3-(2-Carboxyethyl)-2,5-dimethylbenzoxazolium bromide
3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid
Also Known As: EINECS 251-009-3|3-(2-Carboxyethyl)-2,5-dimethylbenzoxazolium bromide|3-(2-Carboxyethyl)-2,5-dimethylbenzoxazol-3-ium|3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid|3-(2-CARBOXYETHYL)-2,5-DIMETHYL-BENZOXAZOLIUM BROMIDE|3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid,bromide|251-009-3
| Molecular Formula | C12H14NO3+ |
|---|---|
| Molecular Weight | 220.09737 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.09737 |
| Monoisotopic Mass | 220.09737 |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 32353-63-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=[N+]2CCC(=O)O)C |
| InChIKey | DZXZGQDSKCJIGE-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Carboxyethyl)-2,5-dimethylbenzoxazolium bromide (CAS 32353-63-2), with molecular formula C12H14NO3+ and molecular weight 220.09737 g/mol. IUPAC: 3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propanoic acid.
3-(2-Carboxyethyl)-2,5-dimethylbenzoxazolium bromide is a custom synthesis product. We offer services from milligram to kilogram scale.
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