| CAS Number | 220999-41-7 |
| Catalog Number | AG01B899 |
| Chemical Name | 3-(dihydroxyboranyl)propanoic acid |
| IUPAC Name | 3-boronopropanoic acid |
| InChI | InChI=1S/C3H7BO4/c5-3(6)1-2-4(7)8/h7-8H,1-2H2,(H,5,6) |
| InChI Key | DDIBQZKBCUCPDW-UHFFFAOYSA-N |
| MDL Number | MFCD06212365 |
| Molecular Formula | C3H7BO4 |
| Molecular Weight | 117.8963 |
| SMILES | OB(CCC(O)=O)O |
| Synonyms | 3-(dihydroxyboranyl)propanoic acid,
220999-41-7,
SCHEMBL1809856,
ZINC196116912,
3-boronopropanoic Acid,
CID10171241,
|
| Complexity | 81.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 118.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.895g/mol |
| Monoisotopic Mass | 118.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number