| CAS Number | 182344-24-7 |
| Catalog Number | AG00I19K(AGN-PC-03KR3Y) |
| Chemical Name | Boronic acid, (3-formyl-4-hydroxyphenyl)- |
| IUPAC Name | (3-formyl-4-hydroxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BO4/c9-4-5-3-6(8(11)12)1-2-7(5)10/h1-4,10-12H |
| InChI Key | WYDMMKUWINZXKJ-UHFFFAOYSA-N |
| MDL Number | MFCD13186921 |
| Molecular Formula | C7H7BO4 |
| Molecular Weight | 165.9391 |
| SMILES | O=Cc1cc(ccc1O)B(O)O |
| Synonyms | 3-formyl-4-hydroxyphenylboronic acid,
182344-24-7,
(3-Formyl-4-hydroxyphenyl)boronic acid,
Boronic acid, (3-formyl-4-hydroxyphenyl)-,
SCHEMBL8085037,
WYDMMKUWINZXKJ-UHFFFAOYSA-N,
KM3774,
MFCD13186921,
AKOS027325760,
ZINC169978251,
FCH1175889,
BP-11331,
OR322790,
Y2579,
C7H7BO4,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.939g/mol |
| Monoisotopic Mass | 166.044g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^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