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1256345-81-9 | Boronic acid, B-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-
CAS No: 1256345-81-9 Catalog No: AG000O0Y MDL No:MFCD17015734
Product Description
Catalog Number:
AG000O0Y
Chemical Name:
Boronic acid, B-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-
CAS Number:
1256345-81-9
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD17015734
IUPAC Name:
[4-[2-oxo-2-(propylamino)ethyl]phenyl]boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-2-7-13-11(14)8-9-3-5-10(6-4-9)12(15)16/h3-6,15-16H,2,7-8H2,1H3,(H,13,14)
InChI Key:
OVUKJQVGEINYRX-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Cc1ccc(cc1)B(O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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