| CAS Number | 1256355-55-1 |
| Catalog Number | AG000O44(AGN-PC-0WA78E) |
| Chemical Name | Acetic acid, 2-(3-boronophenoxy)-, 1-methyl ester |
| IUPAC Name | [3-(2-methoxy-2-oxoethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C9H11BO5/c1-14-9(11)6-15-8-4-2-3-7(5-8)10(12)13/h2-5,12-13H,6H2,1H3 |
| InChI Key | VSRAAFKSKNZJMC-UHFFFAOYSA-N |
| MDL Number | MFCD11973991 |
| Molecular Formula | C9H11BO5 |
| Molecular Weight | 209.9916 |
| SMILES | O=C(OC)COC1=CC(B(O)O)=CC=C1 |
| Synonyms | 1256355-55-1,
3-(2-METHOXY-2-OXOETHOXY)PHENYLBORONIC ACID,
(3-(2-Methoxy-2-oxoethoxy)phenyl)boronic acid,
[3-(2-methoxy-2-oxoethoxy)phenyl]boronic acid,
SCHEMBL15332239,
CTK4B4626,
DTXSID30681881,
MFCD11973991,
AKOS015851413,
ZINC169935208,
AK-85204,
OR361387,
TR-035287,
X1949,
Acetic acid, 2-(3-boronophenoxy)-, 1-methyl ester,
C9H11BO5,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.992g/mol |
| Monoisotopic Mass | 210.07g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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