956930-21-5
Product Name:
2-[4-(ETHOXYCARBONYL)-3,5-DIMETHYL-1H-PYRAZOL-1-YL]BENZENECARBOXYLIC ACID
Formula:
C15H16N2O4
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 288.30 g/mol |
---|---|
XLogP3 | 2.4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 5 |
Exact Mass | 288.11100700 g/mol |
Monoisotopic Mass | 288.11100700 g/mol |
Topological Polar Surface Area | 81.4 Ų |
Heavy Atom Count | 21 |
Formal Charge | 0 |
Complexity | 401 |
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 |