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Home > Boronic Acids > 211692-94-3
211692-94-3 | Boronic acid, [2,5-bis(dodecyloxy)-1,4-phenylene]bis-
CAS No: 211692-94-3 Catalog No: AG007OWJ MDL No:
Product Description
Catalog Number:
AG007OWJ
Chemical Name:
Boronic acid, [2,5-bis(dodecyloxy)-1,4-phenylene]bis-
CAS Number:
211692-94-3
Molecular Formula:
C30H56B2O6
Molecular Weight:
534.3840
IUPAC Name:
(4-borono-2,5-didodecoxyphenyl)boronic acid
InChI:
InChI=1S/C30H56B2O6/c1-3-5-7-9-11-13-15-17-19-21-23-37-29-25-28(32(35)36)30(26-27(29)31(33)34)38-24-22-20-18-16-14-12-10-8-6-4-2/h25-26,33-36H,3-24H2,1-2H3
InChI Key:
CPPUVZOCMPJFPZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cc(B(O)O)c(cc1B(O)O)OCCCCCCCCCCCC
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.426g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
534.392g/mol
Monoisotopic Mass:
534.426g/mol
Rotatable Bond Count:
26
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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