4'-Carboxybenzo-18-crown 6-Ether
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid
Also Known As: 4'-Carboxybenzo-18-crown 6-Ether|Brombuterol|4'-Carboxybenzo-18-crown-6|4'-Carboxybenzo-18C6|4-Carboxybenzo-18-crown-6|YSZC452|2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine-18-carboxylic acid|RARECHEM AL BE 0473|4 -Carboxybenzo-18-crown-6|2,3-(4-Carboxybenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene|4/'-Carboxybenzo-18-crown 6-Ether|(Benzo-18-crown-6)-4'-carboxylic acid|J1.131.048F|2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid|AF-399/32020033|AH-034/32836064|2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine-18-carboxylic acid
| Molecular Formula | C17H24O8 |
|---|---|
| Molecular Weight | 356.14713 g/mol |
| LogP | 1.2224 |
| Topological Polar Surface Area | 92.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.14713 |
| Monoisotopic Mass | 356.14713 |
| Heavy Atoms | 25 |
| Complexity | 519.3693 |
Chemical Identifiers
| CAS Number | 60835-75-8 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)C(=O)O)OCCOCCO1 |
Product Overview
4'-Carboxybenzo-18-crown 6-Ether (CAS 60835-75-8), with molecular formula C17H24O8 and molecular weight 356.14713 g/mol. IUPAC: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carboxylic acid.