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Home > Boronic Acids > 850568-21-7
850568-21-7 | (4-(4-Methylpiperidine-1-carbonyl);phenyl);boronic acid
CAS No: 850568-21-7 Catalog No: AG008GTL MDL No:MFCD04115676
Product Description
Catalog Number:
AG008GTL
Chemical Name:
(4-(4-Methylpiperidine-1-carbonyl);phenyl);boronic acid
CAS Number:
850568-21-7
Molecular Formula:
C13H18BNO3
Molecular Weight:
247.0979
MDL Number:
MFCD04115676
IUPAC Name:
[4-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid
InChI:
InChI=1S/C13H18BNO3/c1-10-6-8-15(9-7-10)13(16)11-2-4-12(5-3-11)14(17)18/h2-5,10,17-18H,6-9H2,1H3
InChI Key:
YPAMJFMJEPYVFW-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)N1CCC(CC1)C)O
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.101g/mol
Monoisotopic Mass:
247.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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