| CAS Number | 185329-96-8 |
| Catalog Number | AG01FNQD(AGN-PC-0O5E6L) |
| Chemical Name | Boronic acid, (2-methyl-4-propylphenyl)- |
| IUPAC Name | (2-methyl-4-propylphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO2/c1-3-4-9-5-6-10(11(12)13)8(2)7-9/h5-7,12-13H,3-4H2,1-2H3 |
| InChI Key | XSCBTTAAGIFIGB-UHFFFAOYSA-N |
| MDL Number | MFCD27977121 |
| Molecular Formula | C10H15BO2 |
| Molecular Weight | 178.0359 |
| SMILES | CC1=C(C=CC(=C1)CCC)B(O)O |
| Synonyms | (2-methyl-4-propylphenyl)boronic acid,
AS-64405,
185329-96-8,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.11651g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.04g/mol |
| Monoisotopic Mass | 178.11651g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 40.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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