1,3-Butanedione, 1,1'-(1,4-phenylene)bis-
1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione
Also Known As: terephthaloyldiacetone|1,4-Bis-acetoacetyl-benzol|1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione|1,3-Butanedione, 1,1'-(1,4-phenylene)bis-|1,1'-(1,4-Phenylene)bis(butane-1,3-dione)|1,1 -(p-Phenylene)bis(1,3-butanedione)|J1.281.873D|1,1'-(1,4-Phenylene)di(butane-1,3-dione)|1,1 -(1,4-Phenylene)bis(butane-1,3-dione)
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.0892 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.0892 |
| Monoisotopic Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 57291-95-9 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=C(C=C1)C(=O)CC(=O)C |
| InChIKey | LYPRUFUGDJOUNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Butanedione, 1,1'-(1,4-phenylene)bis- (CAS 57291-95-9), with molecular formula C14H14O4 and molecular weight 246.0892 g/mol. IUPAC: 1-[4-(3-oxobutanoyl)phenyl]butane-1,3-dione.
1,3-Butanedione, 1,1'-(1,4-phenylene)bis- is a custom synthesis product. We offer services from milligram to kilogram scale.
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