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Home > Boronic Acids > 870718-08-4
870718-08-4 | Boronic acid,B-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-
CAS No: 870718-08-4 Catalog No: AG004JD2 MDL No:
Product Description
Catalog Number:
AG004JD2
Chemical Name:
Boronic acid,B-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]-
CAS Number:
870718-08-4
Molecular Formula:
C15H17BO5
Molecular Weight:
288.1035
IUPAC Name:
[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C15H17BO5/c1-19-14-7-11(8-15(9-14)20-2)10-21-13-5-3-12(4-6-13)16(17)18/h3-9,17-18H,10H2,1-2H3
InChI Key:
VGULDMBLXOLKDX-UHFFFAOYSA-N
SMILES:
COc1cc(COc2ccc(cc2)B(O)O)cc(c1)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.106g/mol
Monoisotopic Mass:
288.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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