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Home > Boronic Acids > 259209-31-9
259209-31-9 | Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI)
CAS No: 259209-31-9 Catalog No: AG002R1N MDL No:
Product Description
Catalog Number:
AG002R1N
Chemical Name:
Boronic acid,(2-hydroxy-3,4-dimethylphenyl)- (9CI)
CAS Number:
259209-31-9
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
IUPAC Name:
(2-hydroxy-3,4-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-5-3-4-7(9(11)12)8(10)6(5)2/h3-4,10-12H,1-2H3
InChI Key:
HRUGKMVNTLJRDB-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1O)C)C)O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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