4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid
Also Known As: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid|Maybridge4_000400|Oprea1_307934|KS-00003SS7|IDI1_030982|4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid|NCGC00042017-02|BB 0218681|2H-1,5-Benzodioxepin-7-butanoic acid, 3,4-dihydro-gamma-oxo-|3-[3,4-(trimethylenedioxy)benzoyl]propionic acid|2H-1,5-Benzodioxepin-7-butanoicacid, 3,4-dihydro-g-oxo-|SR-01000619467-2|BRD-K96015768-001-01-8|I14-35336|4-(2H,3H,4H-benzo[b]1,4-dioxepin-7-yl)-4-oxobutanoic acid|2H-1,5-Benzodioxepin-7-butanoic acid, 3,4-dihydro--oxo-|4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoicacid
| Molecular Formula | C13H14O5 |
|---|---|
| Molecular Weight | 250.08412 g/mol |
| LogP | 1.8954 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.08412 |
| Monoisotopic Mass | 250.08412 |
| Heavy Atoms | 18 |
| Complexity | 466.44946 |
Chemical Identifiers
| CAS Number | 175136-33-1 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)C(=O)CCC(=O)O)OC1 |
Product Overview
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid (CAS 175136-33-1), with molecular formula C13H14O5 and molecular weight 250.08412 g/mol. IUPAC: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid.
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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