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Home > Boronic Acids > 1228182-84-0
1228182-84-0 | 4-(4-Methoxypiperidin-1-yl)phenylboronic acid
CAS No: 1228182-84-0 Catalog No: AG00HH0B MDL No:MFCD18383667
Product Description
Catalog Number:
AG00HH0B
Chemical Name:
4-(4-Methoxypiperidin-1-yl)phenylboronic acid
CAS Number:
1228182-84-0
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD18383667
IUPAC Name:
[4-(4-methoxypiperidin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-17-12-6-8-14(9-7-12)11-4-2-10(3-5-11)13(15)16/h2-5,12,15-16H,6-9H2,1H3
InChI Key:
GQAIUVIJYKGVGI-UHFFFAOYSA-N
SMILES:
COC1CCN(CC1)c1ccc(cc1)B(O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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