benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt
3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate
Also Known As: EINECS 266-175-2|Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt|3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate|BAS 00107543|2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt|3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)-1-propanesulfonate|2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium inner salt|3-(2-Methyl-5-phenylbenzo[d]oxazol-3-ium-3-yl)propane-1-sulfonate|AG-690/11353221|Anhydro-2-methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide|2-METHYL-5-PHENYL-3-(3-SULFONATOPROPYL)-1,3-BENZOXAZOL-3-IUM|2-Methyl-5-phenyl-3-(3-sulphonatopropyl)benzoxazolium|I01-18281|2-Methyl-5-phenyl-3-(3-sulfonatopropyl)benzoxazol-3-ium|3-(2-methyl-5-phenylbenzoxazol-3-yl)propanesulfonic acid|3-(2,5-dimethyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate|2-Methyl-5-phenyl-3-(3-sulfopropyl)benzoxazolium hydroxide,inner salt|2-methyl-5-phenyl-3-(3-sulfopropyl)benzoxazoliumhydroxide, inner salt|2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUMHYDROXIDE,INNERSALT|Benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, hydroxide, inner salt|2-METHYL-5-PHENYL-3-(3-SULFOPROPYL)BENZOXAZOLIUM HYDROXIDE, INNER SALT
| Molecular Formula | C17H17NO4S |
|---|---|
| Molecular Weight | 331.08783 g/mol |
| LogP | 2.63 |
| Topological Polar Surface Area | 74.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.08783 |
| Heavy Atoms | 23 |
| Complexity | 929.9 |
Chemical Identifiers
| CAS Number | 66142-15-2 |
|---|---|
| SMILES | CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)[O-] |
Product Overview
benzoxazolium, 2-methyl-5-phenyl-3-(3-sulfopropyl)-, inner salt (CAS 66142-15-2), with molecular formula C17H17NO4S and molecular weight 331.08783 g/mol. IUPAC: 3-(2-methyl-5-phenyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonate.
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