CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 128.5 °C |
| Solubility | 4880 mg/L (at 25 °C) |
| LogP | 1.73 |
| LogS | -1.64 |
| Dissociation Constants | 7.86 |
| Kovats Retention Index | 1641 1641 1665 1665 1642 1649 1642 1646 1645 1680 1655 1642 1647.3 1667.8 1640 1640 1660 1665 1665.7 1650 1660 1667 1667 |
COMPUTED DESCRIPTORS
| Molecular Weight | 212.25 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 212.11609238 g/mol |
| Monoisotopic Mass | 212.11609238 g/mol |
| Topological Polar Surface Area | 75.3 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 279 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Butobarbital is a member of barbiturates.