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Home > Boronic Acids > 135159-25-0
135159-25-0 | 2,4,6-Trimethoxyphenylboronic acid
CAS No: 135159-25-0 Catalog No: AG003FNK MDL No:MFCD01114642
Product Description
Catalog Number:
AG003FNK
Chemical Name:
2,4,6-Trimethoxyphenylboronic acid
CAS Number:
135159-25-0
Molecular Formula:
C9H13BO5
Molecular Weight:
212.0075
MDL Number:
MFCD01114642
IUPAC Name:
(2,4,6-trimethoxyphenyl)boronic acid
InChI:
InChI=1S/C9H13BO5/c1-13-6-4-7(14-2)9(10(11)12)8(5-6)15-3/h4-5,11-12H,1-3H3
InChI Key:
PKLRXZVPEQJTTJ-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1B(O)O)OC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.008g/mol
Monoisotopic Mass:
212.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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