AC1LWL8D
3-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid
Also Known As: EiM07-17078|3-({2-[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)propanoic acid|N-{[(3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}-beta-alanine|3-(2-((3-hexyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)propanoic acid|3-[[2-(3-hexyl-4,8-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanoic Acid|3-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid|3-{2-[(3-HEXYL-4,8-DIMETHYL-2-OXO-2H-CHROMEN-7-YL)OXY]ACETAMIDO}PROPANOIC ACID
| Molecular Formula | C22H29NO6 |
|---|---|
| Molecular Weight | 403.1995 g/mol |
| LogP | 3.50234 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 403.1995 |
| Monoisotopic Mass | 403.1995 |
| Heavy Atoms | 29 |
| Complexity | 931.0249 |
Chemical Identifiers
| CAS Number | 858754-72-0 |
|---|---|
| SMILES | CCCCCCC1=C(C2=C(C(=C(C=C2)OCC(=O)NCCC(=O)O)C)OC1=O)C |
Product Overview
AC1LWL8D (CAS 858754-72-0), with molecular formula C22H29NO6 and molecular weight 403.1995 g/mol. IUPAC: 3-[[2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoic acid.
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