CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 638 |
---|
SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H227:Flammable liquids |
Precautionary Statement Codes |
P403+P235:Store in a well-ventilated place. Keep cool. |
COMPUTED DESCRIPTORS
Molecular Weight | 528.11 g/mol |
---|---|
XLogP3 | 6.6 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 21 |
Rotatable Bond Count | 9 |
Exact Mass | 527.9829644 g/mol |
Monoisotopic Mass | 527.9829644 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 717 |
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 |