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Home > Boronic Acids > 850568-23-9
850568-23-9 | (4-(4-Oxopiperidine-1-carbonyl);phenyl);boronic acid
CAS No: 850568-23-9 Catalog No: AG004PC0 MDL No:MFCD04115679
Product Description
Catalog Number:
AG004PC0
Chemical Name:
(4-(4-Oxopiperidine-1-carbonyl);phenyl);boronic acid
CAS Number:
850568-23-9
Molecular Formula:
C12H14BNO4
Molecular Weight:
247.0549
MDL Number:
MFCD04115679
IUPAC Name:
[4-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C12H14BNO4/c15-11-5-7-14(8-6-11)12(16)9-1-3-10(4-2-9)13(17)18/h1-4,17-18H,5-8H2
InChI Key:
AIAPQNNEMPKYKZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N1CCC(=O)CC1)O
Properties
Complexity:
316
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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