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Home > Boronic Acids > 725251-81-0
725251-81-0 | (3-Methoxy-5-methylphenyl);boronic acid
CAS No: 725251-81-0 Catalog No: AG003BSP MDL No:MFCD09952026
Product Description
Catalog Number:
AG003BSP
Chemical Name:
(3-Methoxy-5-methylphenyl);boronic acid
CAS Number:
725251-81-0
Molecular Formula:
C8H11BO3
Molecular Weight:
165.9821
MDL Number:
MFCD09952026
IUPAC Name:
(3-methoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H11BO3/c1-6-3-7(9(10)11)5-8(4-6)12-2/h3-5,10-11H,1-2H3
InChI Key:
DJBDBFHWWWCNER-UHFFFAOYSA-N
SMILES:
COc1cc(C)cc(c1)B(O)O
Properties
Complexity:
140
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:
2
Isotope Atom Count:
0
Molecular Weight:
165.983g/mol
Monoisotopic Mass:
166.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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