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Home > Boronic Acids > 870778-93-1
870778-93-1 | (3-((4-(Heptyloxy)phenoxy)methyl)phenyl)boronic acid
CAS No: 870778-93-1 Catalog No: AG003BQ0 MDL No:MFCD07784350
Product Description
Catalog Number:
AG003BQ0
Chemical Name:
(3-((4-(Heptyloxy)phenoxy)methyl)phenyl)boronic acid
CAS Number:
870778-93-1
Molecular Formula:
C20H27BO4
Molecular Weight:
342.2370
MDL Number:
MFCD07784350
IUPAC Name:
[3-[(4-heptoxyphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C20H27BO4/c1-2-3-4-5-6-14-24-19-10-12-20(13-11-19)25-16-17-8-7-9-18(15-17)21(22)23/h7-13,15,22-23H,2-6,14,16H2,1H3
InChI Key:
YUUHHALRCQFRSL-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)OCc1cccc(c1)B(O)O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.2g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
342.242g/mol
Monoisotopic Mass:
342.2g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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