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Home Boronic acids (2-[(4-Oxopiperidin-1-yl)methyl]phenyl)boronic acid

(2-[(4-Oxopiperidin-1-yl)methyl]phenyl)boronic acid

CAS No.:
697739-42-7
Catalog Number:
AG005I0B
Molecular Formula:
C12H16BNO3
Molecular Weight:
233.0713
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
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Product Description
Catalog Number:
AG005I0B
Chemical Name:
(2-[(4-Oxopiperidin-1-yl)methyl]phenyl)boronic acid
CAS Number:
697739-42-7
Molecular Formula:
C12H16BNO3
Molecular Weight:
233.0713
MDL Number:
MFCD05864584
IUPAC Name:
[2-[(4-oxopiperidin-1-yl)methyl]phenyl]boronic acid
InChI:
InChI=1S/C12H16BNO3/c15-11-5-7-14(8-6-11)9-10-3-1-2-4-12(10)13(16)17/h1-4,16-17H,5-9H2
InChI Key:
FIUCWBGMMCBNJU-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)Cc1ccccc1B(O)O
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.122g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.074g/mol
Monoisotopic Mass:
233.122g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties