Einecs 258-405-5
2-(methylamino)-1-phenylpropan-1-ol;2-oxochromene-3-carboxylic acid
Also Known As: EINECS 258-405-5|2-Oxo-2H-1-benzopyran-3-carboxylic acid, compound with (R-(R*,S*))-2-(methylamino)-1-phenylpropanol (1:1)|2-(methylamino)-1-phenylpropan-1-ol; 2-oxochromene-3-carboxylic acid|2-Oxo-2H-1-benzopyran-3-carboxylic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)|2-oxo-2H-1-benzopyran-3-carboxylic acid, compound with [R-(R*,S*)]-2-(methylamino)-1-phenylpropanol (1:1)|2H-1-Benzopyran-3-carboxylic acid, 2-oxo-, compd. with [R-(R*,S*)]-.alpha.-[1-(methylamino)ethyl]benzenemethanol (1:1)
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14197 g/mol |
| LogP | 2.8191 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.14197 |
| Monoisotopic Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 920.1378 |
Chemical Identifiers
| CAS Number | 53166-67-9 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NC.C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O |
Product Overview
Einecs 258-405-5 (CAS 53166-67-9), with molecular formula C20H21NO5 and molecular weight 355.14197 g/mol. IUPAC: 2-(methylamino)-1-phenylpropan-1-ol;2-oxochromene-3-carboxylic acid.