RefChem:305376
3-(2,3,4-trimethoxy-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propanoic acid
Also Known As: beta-(6-Oxo-2,3,4-trimethoxybenzocycloheptan-5-yl)propionic acid|6,7,8,9-Tetrahydro-6-oxo-2,3,4-trimethoxy-5H-benzocycloheptene-5-propanoic acid|6-Oxo-2,3,4-trimethoxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-propanoic acid|3-(2,3,4-trimethoxy-6-oxo-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-yl)propanoic acid|5H-Benzocycloheptene-5-propanoic acid, 6,7,8,9-tetrahydro-6-oxo-2,3,4-trimethoxy-|3-(2,3,4-trimethoxy-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propanoic acid
| Molecular Formula | C17H22O6 |
|---|---|
| Molecular Weight | 322.14163 g/mol |
| LogP | 2.57 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.14163 |
| Heavy Atoms | 23 |
| Complexity | 607.6 |
Chemical Identifiers
| CAS Number | 972-63-4 |
|---|---|
| SMILES | COC1=C(C(=C2C(C(=O)CCCC2=C1)CCC(=O)O)OC)OC |
Product Overview
RefChem:305376 (CAS 972-63-4), with molecular formula C17H22O6 and molecular weight 322.14163 g/mol. IUPAC: 3-(2,3,4-trimethoxy-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-5-yl)propanoic acid.
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