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Home > Boronic Acids > 850568-59-1
850568-59-1 | (4-Ethoxy-3,5-dimethylphenyl)boronic acid
CAS No: 850568-59-1 Catalog No: AG004SHW MDL No:MFCD02179463
Product Description
Catalog Number:
AG004SHW
Chemical Name:
(4-Ethoxy-3,5-dimethylphenyl)boronic acid
CAS Number:
850568-59-1
Molecular Formula:
C10H15BO3
Molecular Weight:
194.0353
MDL Number:
MFCD02179463
IUPAC Name:
(4-ethoxy-3,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO3/c1-4-14-10-7(2)5-9(11(12)13)6-8(10)3/h5-6,12-13H,4H2,1-3H3
InChI Key:
FMJASQDMWVBTOJ-UHFFFAOYSA-N
SMILES:
CCOc1c(C)cc(cc1C)B(O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.037g/mol
Monoisotopic Mass:
194.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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