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14559-88-7

14559-88-7 | Boronic acid, B-(2-methyl-1-propen-1-yl)-

CAS No: 14559-88-7 Catalog No: AG001D7K MDL No:MFCD01074609

Product Description

Catalog Number:
AG001D7K
Chemical Name:
Boronic acid, B-(2-methyl-1-propen-1-yl)-
CAS Number:
14559-88-7
Molecular Formula:
C4H9BO2
Molecular Weight:
99.9241
MDL Number:
MFCD01074609
IUPAC Name:
2-methylprop-1-enylboronic acid
InChI:
InChI=1S/C4H9BO2/c1-4(2)3-5(6)7/h3,6-7H,1-2H3
InChI Key:
FWJRSOGVYOIVOC-UHFFFAOYSA-N
SMILES:
OB(C=C(C)C)O

Properties

Complexity:
73.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
100.07g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
99.924g/mol
Monoisotopic Mass:
100.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Literature

Title Journal
Regioselective alkenylation of aromatic ketones with alkenylboronates using a RuH2(CO)(PPh3)3 catalyst via carbon-hydrogen bond cleavage. The Journal of organic chemistry 20070427

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