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Home > Boronic Acids > 934826-20-7
934826-20-7 | (4-Hydroxy-3,5-dimethylphenyl);boronic acid
CAS No: 934826-20-7 Catalog No: AG003LHO MDL No:MFCD13181647
Product Description
Catalog Number:
AG003LHO
Chemical Name:
(4-Hydroxy-3,5-dimethylphenyl);boronic acid
CAS Number:
934826-20-7
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD13181647
IUPAC Name:
(4-hydroxy-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10-12H,1-2H3
InChI Key:
SJSCEQJHOXBRSS-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)O)O
Properties
Complexity:
139
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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