| CAS Number | 256656-73-2 |
| Catalog Number | AG01EB3W(AGN-PC-0A8YGX) |
| Chemical Name | 2-{[4-(dihydroxyboranyl)phenyl]formamido}acetic acid |
| IUPAC Name | 2-[(4-boronobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H10BNO5/c12-8(13)5-11-9(14)6-1-3-7(4-2-6)10(15)16/h1-4,15-16H,5H2,(H,11,14)(H,12,13) |
| InChI Key | SUAHEMDODCRDRG-UHFFFAOYSA-N |
| MDL Number | MFCD31916434 |
| Molecular Formula | C9H10BNO5 |
| Molecular Weight | 222.9904 |
| SMILES | O=C(O)CNC(C1=CC=C(B(O)O)C=C1)=O |
| Synonyms | 256656-73-2,
N-(4-Boronobenzoyl)glycine,
SCHEMBL8150723,
AS-55449,
2-{[4-(dihydroxyboranyl)phenyl]formamido}acetic acid,
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| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.991g/mol |
| Monoisotopic Mass | 223.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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