| CAS Number | 1005452-36-7 |
| Catalog Number | AG01CCDE(AGN-PC-0WG6SI) |
| Chemical Name | [(1E)-but-1-en-1-yl]boronic acid |
| IUPAC Name | [(E)-but-1-enyl]boronic acid |
| InChI | InChI=1S/C4H9BO2/c1-2-3-4-5(6)7/h3-4,6-7H,2H2,1H3/b4-3+ |
| InChI Key | KKDBUAXGGKQJNY-ONEGZZNKSA-N |
| MDL Number | MFCD09840136 |
| Molecular Formula | C4H9BO2 |
| Molecular Weight | 99.9241 |
| SMILES | CC/C=C/B(O)O |
| Synonyms | 1-BUTENYLBORONIC ACID,
852458-12-9,
(E)-but-1-en-1-ylboronic acid,
BUT-1-EN-1-YLBORONIC ACID,
1005452-36-7,
but-1-enylboronic acid,
(E)-but-1-enylboronic acid,
KKDBUAXGGKQJNY-ONEGZZNKSA-N,
FCH832913,
AKOS006227705,
ZINC196687315,
FCH4018637,
AX8173573,
AX8328907,
RT-006254,
458B129,
|
| Complexity | 60.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 100.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 99.924g/mol |
| Monoisotopic Mass | 100.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number