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Home > Boronic Acids > 90085-60-2
90085-60-2 | Boronic acid, (2,5-dimethyl-1,4-phenylene)bis-
CAS No: 90085-60-2 Catalog No: AG006K2Y MDL No:MFCD01319000
Product Description
Catalog Number:
AG006K2Y
Chemical Name:
Boronic acid, (2,5-dimethyl-1,4-phenylene)bis-
CAS Number:
90085-60-2
Molecular Formula:
C8H12B2O4
Molecular Weight:
193.8005
MDL Number:
MFCD01319000
IUPAC Name:
(4-borono-2,5-dimethylphenyl)boronic acid
InChI:
InChI=1S/C8H12B2O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4,11-14H,1-2H3
InChI Key:
CGCUBHLGWWXABY-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(cc1C)B(O)O)O
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
193.8g/mol
Monoisotopic Mass:
194.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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