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Home > Boronic Acids > 1072951-94-0
1072951-94-0 | (4-((3,5-Dimethoxybenzyl);oxy);-3,5-dimethylphenyl);boronic acid
CAS No: 1072951-94-0 Catalog No: AG007ERY MDL No:MFCD22421632
Product Description
Catalog Number:
AG007ERY
Chemical Name:
(4-((3,5-Dimethoxybenzyl);oxy);-3,5-dimethylphenyl);boronic acid
CAS Number:
1072951-94-0
Molecular Formula:
C17H21BO5
Molecular Weight:
316.1566
MDL Number:
MFCD22421632
IUPAC Name:
[4-[(3,5-dimethoxyphenyl)methoxy]-3,5-dimethylphenyl]boronic acid
InChI:
InChI=1S/C17H21BO5/c1-11-5-14(18(19)20)6-12(2)17(11)23-10-13-7-15(21-3)9-16(8-13)22-4/h5-9,19-20H,10H2,1-4H3
InChI Key:
VZHFHGUMGVBYBU-UHFFFAOYSA-N
SMILES:
COc1cc(COc2c(C)cc(cc2C)B(O)O)cc(c1)OC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.16g/mol
Monoisotopic Mass:
316.148g/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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