| CAS Number | 1350513-18-6 |
| Catalog Number | AG00HTV2(AGN-PC-0WRA6X) |
| Chemical Name | (Oxan-4-ylmethyl)boronic acid |
| IUPAC Name | oxan-4-ylmethylboronic acid |
| InChI | InChI=1S/C6H13BO3/c8-7(9)5-6-1-3-10-4-2-6/h6,8-9H,1-5H2 |
| InChI Key | VSONRZMBCYWOON-UHFFFAOYSA-N |
| MDL Number | MFCD18861659 |
| Molecular Formula | C6H13BO3 |
| Molecular Weight | 143.9766 |
| SMILES | OB(CC1CCOCC1)O |
| Synonyms | (oxan-4-ylmethyl)boronic acid,
1350513-18-6,
AKOS013013496,
ZINC169965534,
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| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.977g/mol |
| Monoisotopic Mass | 144.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number