| CAS Number | 19203-45-3 |
| Catalog Number | AG01BFZO(AGN-PC-0WOV0N) |
| Chemical Name | 2-(1-Hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl)acetic acid |
| IUPAC Name | 2-(1-hydroxy-3H-2,1-benzoxaborol-3-yl)acetic acid |
| InChI | InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12) |
| InChI Key | ZJBJWSMUEYQHQD-UHFFFAOYSA-N |
| MDL Number | MFCD20644026 |
| Molecular Formula | C9H9BO4 |
| Molecular Weight | 191.9764 |
| SMILES | OB1OC(C2=C1C=CC=C2)CC(=O)O |
| Synonyms | 2-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-3-yl)acetic acid,
19203-45-3,
SCHEMBL10269065,
AKOS026744182,
NE41041,
Z2685918870,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.977g/mol |
| Monoisotopic Mass | 192.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number