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Home Boronic acids {4-[3-(piperidin-1-yl)propoxy]phenyl}boronic acid

{4-[3-(piperidin-1-yl)propoxy]phenyl}boronic acid

CAS No.:
1003028-39-4
Catalog Number:
AG01ABHI
Molecular Formula:
C14H22BNO3
Molecular Weight:
263.1404
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Product Description
Catalog Number:
AG01ABHI
Chemical Name:
{4-[3-(piperidin-1-yl)propoxy]phenyl}boronic acid
CAS Number:
1003028-39-4
Molecular Formula:
C14H22BNO3
Molecular Weight:
263.1404
MDL Number:
MFCD17977156
IUPAC Name:
[4-(3-piperidin-1-ylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C14H22BNO3/c17-15(18)13-5-7-14(8-6-13)19-12-4-11-16-9-2-1-3-10-16/h5-8,17-18H,1-4,9-12H2
InChI Key:
WXZPCHIROFGLEC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)OCCCN1CCCCC1)O
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.169g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.144g/mol
Monoisotopic Mass:
263.169g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties