85018-82-2
Product Name:
Nicotinic acid, 2,11-dibutyl-2,11-dimethyldodecamethylene ester
Formula:
C34H52N2O4
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 552.8 g/mol |
---|---|
XLogP3 | 10.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 23 |
Exact Mass | 552.39270814 g/mol |
Monoisotopic Mass | 552.39270814 g/mol |
Topological Polar Surface Area | 78.4 Ų |
Heavy Atom Count | 40 |
Formal Charge | 0 |
Complexity | 643 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 2 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |