| CAS Number | 1072945-84-6 |
| Catalog Number | AG007WOP(AGN-PC-0WA9HL) |
| Chemical Name | 2-(4-Boronophenoxy)acetic acid |
| IUPAC Name | 2-(4-boronophenoxy)acetic acid |
| InChI | InChI=1S/C8H9BO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4,12-13H,5H2,(H,10,11) |
| InChI Key | RJTGNLGIQQFSEI-UHFFFAOYSA-N |
| MDL Number | MFCD03425920 |
| Molecular Formula | C8H9BO5 |
| Molecular Weight | 195.9651 |
| SMILES | O=C(O)COC1=CC=C(B(O)O)C=C1 |
| Synonyms | 4-(Carboxymethoxy)phenylboronic acid,
1072945-84-6,
2-(4-Boronophenoxy)acetic acid,
ACMC-2098qp,
(4-Boronophenoxy)acetic acid,
CTK4A5208,
DTXSID50674573,
ANW-15599,
AKOS006279764,
ZINC169904030,
RTR-001531,
OR360881,
2-[4-(dihydroxyboranyl)phenoxy]acetic acid,
TR-001531,
X1534,
A-4522,
I04-1897,
C8H9BO5,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.965g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number