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Home > Boronic Acids > 850567-32-7
850567-32-7 | (3-(4-Oxopiperidine-1-carbonyl)phenyl)boronic acid
CAS No: 850567-32-7 Catalog No: AG004Z81 MDL No:MFCD04115707
Product Description
Catalog Number:
AG004Z81
Chemical Name:
(3-(4-Oxopiperidine-1-carbonyl)phenyl)boronic acid
CAS Number:
850567-32-7
Molecular Formula:
C12H14BNO4
Molecular Weight:
247.0549
MDL Number:
MFCD04115707
IUPAC Name:
[3-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H14BNO4/c15-11-4-6-14(7-5-11)12(16)9-2-1-3-10(8-9)13(17)18/h1-3,8,17-18H,4-7H2
InChI Key:
ATSICDGBVQTFMX-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)c1cccc(c1)B(O)O
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.057g/mol
Monoisotopic Mass:
247.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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