| CAS Number | 717107-32-9 |
| Catalog Number | AG00FGXT(AGN-PC-0WA4YN) |
| Chemical Name | 2-(2-Carboxyethyl)phenylboronic acid |
| IUPAC Name | 3-(2-boronophenyl)propanoic acid |
| InChI | InChI=1S/C9H11BO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-4,13-14H,5-6H2,(H,11,12) |
| InChI Key | HKXURCOFHUFAMP-UHFFFAOYSA-N |
| MDL Number | MFCD20645590 |
| Molecular Formula | C9H11BO4 |
| Molecular Weight | 193.9922 |
| SMILES | OB(C1=C(CCC(O)=O)C=CC=C1)O |
| Synonyms | 2-(2-Carboxyethyl)phenylboronic acid,
717107-32-9,
2-(2-carboxy-ethyl)-phenylboronic acid,
SCHEMBL6682047,
AKOS025293768,
ZINC170002459,
OR360873,
V7461,
C9H11BO4,
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| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.993g/mol |
| Monoisotopic Mass | 194.075g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number