| CAS Number | 197724-98-4 |
| Catalog Number | AG002AZN(AGN-PC-0QPB2Q) |
| Chemical Name | 5-Methyl-1-hexenylboronic acid |
| IUPAC Name | [(E)-5-methylhex-1-enyl]boronic acid |
| InChI | InChI=1S/C7H15BO2/c1-7(2)5-3-4-6-8(9)10/h4,6-7,9-10H,3,5H2,1-2H3/b6-4+ |
| InChI Key | BLQVLJDDGUYUPN-GQCTYLIASA-N |
| MDL Number | MFCD06202463 |
| Molecular Formula | C7H15BO2 |
| Molecular Weight | 142.0038 |
| SMILES | CC(C)CCC=CB(O)O |
| Synonyms | 5-METHYL-1-HEXENYLBORONIC ACID,
197724-98-4,
SCHEMBL3290729,
FCH850593,
MFCD06202463,
AKOS006292197,
AKOS025293609,
ZINC169935112,
FCH3689866,
[(E)-5-Methyl-1-hexenyl]boronic acid,
OR361439,
TR-036067,
X0603,
B-5815,
I04-2385,
C7H15BO2,
(5-Methylhex-1-en-1-yl)boronic acid,
|
| Complexity | 99.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 142.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.005g/mol |
| Monoisotopic Mass | 142.117g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number