| CAS Number | 2096342-14-0 |
| Catalog Number | AG01EHDN |
| Chemical Name | 3-[(Methoxymethoxy)methyl]phenylboronic acid |
| IUPAC Name | [3-(methoxymethoxymethyl)phenyl]boronic acid |
| InChI | InChI=1S/C9H13BO4/c1-13-7-14-6-8-3-2-4-9(5-8)10(11)12/h2-5,11-12H,6-7H2,1H3 |
| InChI Key | GRPFYESOWAUMKT-UHFFFAOYSA-N |
| MDL Number | MFCD22205753 |
| Molecular Formula | C9H13BO4 |
| Molecular Weight | 196.0081 |
| SMILES | COCOCc1cccc(c1)B(O)O |
| Synonyms | 3-[(Methoxymethoxy)methyl]phenylboronic acid,
2096342-14-0,
(3-((Methoxymethoxy)methyl)phenyl)boronic acid,
MFCD22205753,
ZINC169978055,
Y2455,
B-8388,
C9H13BO4,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.009g/mol |
| Monoisotopic Mass | 196.091g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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