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Home > Boronic Acids > 478685-71-1
478685-71-1 | 2-(Methoxymethoxy)-5-methylphenylboronic acid
CAS No: 478685-71-1 Catalog No: AG00DADC MDL No:MFCD17015744
Product Description
Catalog Number:
AG00DADC
Chemical Name:
2-(Methoxymethoxy)-5-methylphenylboronic acid
CAS Number:
478685-71-1
Molecular Formula:
C9H13BO4
Molecular Weight:
196.0081
MDL Number:
MFCD17015744
IUPAC Name:
[2-(methoxymethoxy)-5-methylphenyl]boronic acid
InChI:
InChI=1S/C9H13BO4/c1-7-3-4-9(14-6-13-2)8(5-7)10(11)12/h3-5,11-12H,6H2,1-2H3
InChI Key:
KPBBTHYSMILUKG-UHFFFAOYSA-N
SMILES:
COCOc1ccc(cc1B(O)O)C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.091g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.009g/mol
Monoisotopic Mass:
196.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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