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Home > Boronic Acids > 176914-55-9
176914-55-9 | Boronic acid, B,B'-[2,5-bis(decyloxy)-1,4-phenylene]bis-
CAS No: 176914-55-9 Catalog No: AG0024ZE MDL No:
Product Description
Catalog Number:
AG0024ZE
Chemical Name:
Boronic acid, B,B'-[2,5-bis(decyloxy)-1,4-phenylene]bis-
CAS Number:
176914-55-9
Molecular Formula:
C26H48B2O6
Molecular Weight:
478.2777
IUPAC Name:
(4-borono-2,5-didecoxyphenyl)boronic acid
InChI:
InChI=1S/C26H48B2O6/c1-3-5-7-9-11-13-15-17-19-33-25-21-24(28(31)32)26(22-23(25)27(29)30)34-20-18-16-14-12-10-8-6-4-2/h21-22,29-32H,3-20H2,1-2H3
InChI Key:
SVYNFNLDJKRFFZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1cc(B(O)O)c(cc1B(O)O)OCCCCCCCCCC
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.364g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
478.284g/mol
Monoisotopic Mass:
478.364g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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