| CAS Number | 631909-10-9 |
| Catalog Number | AG00IB5X(AGN-PC-0WOIUS) |
| Chemical Name | 3-Formyl-2-methylphenylboronic acid |
| IUPAC Name | (3-formyl-2-methylphenyl)boronic acid |
| InChI | InChI=1S/C8H9BO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-5,11-12H,1H3 |
| InChI Key | PCMJTYJNVKJFBC-UHFFFAOYSA-N |
| MDL Number | MFCD23380480 |
| Molecular Formula | C8H9BO3 |
| Molecular Weight | 163.9663 |
| SMILES | B(O)(O)c1c(C)c(C=O)ccc1 |
| Synonyms | 3-Formyl-2-methylphenylboronic acid,
631909-10-9,
3-formyl-2-methyl-phenylboronic acid,
MFCD23380480,
ZINC170002658,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.967g/mol |
| Monoisotopic Mass | 164.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number