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Home Boronic acids {3-[2-(piperidin-1-yl)ethoxy]phenyl}boronic acid

{3-[2-(piperidin-1-yl)ethoxy]phenyl}boronic acid

CAS No.:
1311166-07-0
Catalog Number:
AG01AJH5
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
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Product Description
Catalog Number:
AG01AJH5
Chemical Name:
{3-[2-(piperidin-1-yl)ethoxy]phenyl}boronic acid
CAS Number:
1311166-07-0
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD11540656
IUPAC Name:
[3-(2-piperidin-1-ylethoxy)phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO3/c16-14(17)12-5-4-6-13(11-12)18-10-9-15-7-2-1-3-8-15/h4-6,11,16-17H,1-3,7-10H2
InChI Key:
RVGXCTOOQRWXTB-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCCN1CCCCC1)O
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties