7547-97-9
Product Name:
TRANS-1-PROPEN-1-YLBORONIC ACID
Formula:
C3H7BO2
Synonyms:
(E)-1-Propen-1-ylboronic acid;(E)-Prop-1-enylboronic acid;trans-1-Propeneboronic acid;trans-1-Propenylboronic acid;trans-Propenylboronic acid
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COMPUTED DESCRIPTORS
| Molecular Weight | 85.90 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 86.0539096 g/mol |
| Monoisotopic Mass | 86.0539096 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 50.8 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |