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Home > Boronic Acids > 850568-70-6
850568-70-6 | (5-Methyl-4-propoxy-1,3-phenylene);diboronic acid
CAS No: 850568-70-6 Catalog No: AG004S9N MDL No:MFCD06659835
Product Description
Catalog Number:
AG004S9N
Chemical Name:
(5-Methyl-4-propoxy-1,3-phenylene);diboronic acid
CAS Number:
850568-70-6
Molecular Formula:
C10H16B2O5
Molecular Weight:
237.8530
MDL Number:
MFCD06659835
IUPAC Name:
(3-borono-5-methyl-4-propoxyphenyl)boronic acid
InChI:
InChI=1S/C10H16B2O5/c1-3-4-17-10-7(2)5-8(11(13)14)6-9(10)12(15)16/h5-6,13-16H,3-4H2,1-2H3
InChI Key:
KDLKEDJHILYNCI-UHFFFAOYSA-N
SMILES:
CCCOc1c(C)cc(cc1B(O)O)B(O)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
237.853g/mol
Monoisotopic Mass:
238.118g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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