| CAS Number | 480424-53-1 |
| Catalog Number | AG003BSH(AGN-PC-00UQV3) |
| Chemical Name | 3-Formyl-5-methyl-2-propoxyphenylboronic acid |
| IUPAC Name | (3-formyl-5-methyl-2-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C11H15BO4/c1-3-4-16-11-9(7-13)5-8(2)6-10(11)12(14)15/h5-7,14-15H,3-4H2,1-2H3 |
| InChI Key | VLCOLNKROICTJC-UHFFFAOYSA-N |
| MDL Number | MFCD08276978 |
| Molecular Formula | C11H15BO4 |
| Molecular Weight | 222.0454 |
| SMILES | CCCOc1c(C=O)cc(cc1B(O)O)C |
| Synonyms | 480424-53-1,
(3-Formyl-5-methyl-2-propoxyphenyl)boronic acid,
3-Formyl-5-methyl-2-propoxyphenylboronic acid,
ACMC-209kbe,
SCHEMBL9946012,
CTK4J0559,
DTXSID70584766,
ANW-30600,
MFCD08276978,
AKOS015837367,
ZINC169746667,
RTR-017613,
OR361234,
AX8231547,
ST24020413,
V6130,
B-2366,
3-FORMYL-2-METHYL-2-PROPOXYPHENYLBORONI&,
I04-1947,
C11H15BO4,
(3-Formyl-5-methyl-2-propoxyphenyl)boronicacid,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.047g/mol |
| Monoisotopic Mass | 222.106g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^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