| CAS Number | 1106677-24-0 |
| Catalog Number | AG003LGX(AGN-PC-0WAAGD) |
| Chemical Name | 4-Hexanoylphenylboronic acid |
| IUPAC Name | (4-hexanoylphenyl)boronic acid |
| InChI | InChI=1S/C12H17BO3/c1-2-3-4-5-12(14)10-6-8-11(9-7-10)13(15)16/h6-9,15-16H,2-5H2,1H3 |
| InChI Key | MDARDEFCXPDTJR-UHFFFAOYSA-N |
| MDL Number | MFCD08701782 |
| Molecular Formula | C12H17BO3 |
| Molecular Weight | 220.0726 |
| SMILES | OB(C1=CC=C(C(CCCCC)=O)C=C1)O |
| Synonyms | 4-HEXANOYLPHENYLBORONIC ACID,
1106677-24-0,
(4-hexanoylphenyl)boronic acid,
CTK4A7004,
DTXSID70629666,
ANW-16178,
MFCD08701782,
AKOS004115095,
ZINC169844752,
OR361245,
TR-034033,
Z7315,
K-0691,
C12H17BO3,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.075g/mol |
| Monoisotopic Mass | 220.127g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 57.5A^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