3,4-Dimethylphenylboronic Acid
Product Information
Molecular Formula
C8H11O2B
Molecular Weight
149.98
Description
3,4-Dimethylphenylboronic Acid (CAS# 55499-43-9) is a useful research chemical.
Synonyms
(3,4-dimethylphenyl)boronic acid; (3,4-dimethylphenyl)boronic acid
IUPAC Name
(3,4-dimethylphenyl)boronic acid
SMILES
B(C1=CC(=C(C=C1)C)C)(O)O
InChI
InChI=1S/C8H11BO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5,10-11H,1-2H3
InChI Key
KDVZJKOYSOFXRV-UHFFFAOYSA-N
Flash Point
Not applicable
Appearance
Solid
LogP
-0.01680
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
150.0852098 g/mol
Monoisotopic Mass
150.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
127
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
