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Home > Boronic Acids > 663955-80-4
663955-80-4 | 6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid
CAS No: 663955-80-4 Catalog No: AG00FBJY MDL No:MFCD11053833
Product Description
Catalog Number:
AG00FBJY
Chemical Name:
6-(4-Methoxybenzyloxy)pyridin-3-ylboronic acid
CAS Number:
663955-80-4
Molecular Formula:
C13H14BNO4
Molecular Weight:
259.0656
MDL Number:
MFCD11053833
IUPAC Name:
[6-[(4-methoxyphenyl)methoxy]pyridin-3-yl]boronic acid
InChI:
InChI=1S/C13H14BNO4/c1-18-12-5-2-10(3-6-12)9-19-13-7-4-11(8-15-13)14(16)17/h2-8,16-17H,9H2,1H3
InChI Key:
WKTHOUOOJXPRDN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)COc1ccc(cn1)B(O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.102g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.068g/mol
Monoisotopic Mass:
259.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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