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Home > Boronic Acids > 1256354-95-6
1256354-95-6 | Boronic acid, B,B'-(2-butoxy-5-methyl-1,3-phenylene)bis-
CAS No: 1256354-95-6 Catalog No: AG000O2Z MDL No:MFCD17015762
Product Description
Catalog Number:
AG000O2Z
Chemical Name:
Boronic acid, B,B'-(2-butoxy-5-methyl-1,3-phenylene)bis-
CAS Number:
1256354-95-6
Molecular Formula:
C11H18B2O5
Molecular Weight:
251.8796
MDL Number:
MFCD17015762
IUPAC Name:
(3-borono-2-butoxy-5-methylphenyl)boronic acid
InChI:
InChI=1S/C11H18B2O5/c1-3-4-5-18-11-9(12(14)15)6-8(2)7-10(11)13(16)17/h6-7,14-17H,3-5H2,1-2H3
InChI Key:
VYGSXRMCYRFRHS-UHFFFAOYSA-N
SMILES:
CCCCOc1c(cc(cc1B(O)O)C)B(O)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.134g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
251.88g/mol
Monoisotopic Mass:
252.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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