477846-29-0
Product Name:
4-BENZOYL-3-CYANO-5-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
Formula:
C14H10N2O3
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | >38.1 [ug/mL] (The mean of the results at pH 7.4) |
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COMPUTED DESCRIPTORS
| Molecular Weight | 254.24 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 254.06914219 g/mol |
| Monoisotopic Mass | 254.06914219 g/mol |
| Topological Polar Surface Area | 94 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 420 |
| 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 |