| CAS Number | 259209-33-1 |
| Catalog Number | AG002R1M(AGN-PC-0R1SZY) |
| Chemical Name | [2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid |
| IUPAC Name | (2-hydroxy-5-propan-2-ylphenyl)boronic acid |
| InChI | InChI=1S/C9H13BO3/c1-6(2)7-3-4-9(11)8(5-7)10(12)13/h3-6,11-13H,1-2H3 |
| InChI Key | WCFJCIMGOCZBLG-UHFFFAOYSA-N |
| MDL Number | MFCD18827138 |
| Molecular Formula | C9H13BO3 |
| Molecular Weight | 180.0087 |
| SMILES | CC(C1=CC(B(O)O)=C(O)C=C1)C |
| Synonyms | 259209-33-1,
Boronic acid,[2-hydroxy-5-(1-methylethyl)phenyl]- (9CI),
SCHEMBL7235456,
CTK4F6747,
DTXSID70595155,
ZINC205108588,
(2-Hydroxy-5-isopropylphenyl)boronic acid,
[2-Hydroxy-5-(propan-2-yl)phenyl]boronic acid,
Boronic acid, [2-hydroxy-5-(1-methylethyl)phenyl]- (9CI),
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| Complexity | 161 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.01g/mol |
| Monoisotopic Mass | 180.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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