| CAS Number | 480425-29-4 |
| Catalog Number | AG003C02(AGN-PC-0WACYG) |
| Chemical Name | (E)-(4-Butylstyryl)boronic acid |
| IUPAC Name | [(E)-2-(4-butylphenyl)ethenyl]boronic acid |
| InChI | InChI=1S/C12H17BO2/c1-2-3-4-11-5-7-12(8-6-11)9-10-13(14)15/h5-10,14-15H,2-4H2,1H3/b10-9+ |
| InChI Key | AJCKKPVFZKJQTH-MDZDMXLPSA-N |
| MDL Number | MFCD06202493 |
| Molecular Formula | C12H17BO2 |
| Molecular Weight | 204.0732 |
| SMILES | CCCCC1=CC=C(C=C1)/C=C/B(O)O |
| Synonyms | (E)-(4-Butylstyryl)boronic acid,
480425-29-4,
E-(4-Butylphenyl)ethenylboronic acid,
MFCD06202493,
AKOS015839749,
ZINC169746570,
OR360417,
AX8231234,
TR-036852,
ST24020679,
X0840,
B-2810,
I04-2224,
(E)-(4-Butylstyryl)boronicacid,
C12H17BO2,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 204.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.076g/mol |
| Monoisotopic Mass | 204.132g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 40.5A^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