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Home > Boronic Acids > 89291-31-6
89291-31-6 | Boronic acid, [2-(2-piperidinyl)phenyl]-, dimethyl ester
CAS No: 89291-31-6 Catalog No: AG0087FJ MDL No:
Product Description
Catalog Number:
AG0087FJ
Chemical Name:
Boronic acid, [2-(2-piperidinyl)phenyl]-, dimethyl ester
CAS Number:
89291-31-6
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
IUPAC Name:
dimethoxy-(2-piperidin-2-ylphenyl)borane
InChI:
InChI=1S/C13H20BNO2/c1-16-14(17-2)12-8-4-3-7-11(12)13-9-5-6-10-15-13/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3
InChI Key:
HOZDUJZKEQIFAP-UHFFFAOYSA-N
SMILES:
COB(c1ccccc1C1CCCCN1)OC
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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