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Home > Boronic Acids > 1350835-99-2
1350835-99-2 | 3-(4-methoxy-piperidine)phenyl boronic acid
CAS No: 1350835-99-2 Catalog No: AG00A13W MDL No:
Product Description
Catalog Number:
AG00A13W
Chemical Name:
3-(4-methoxy-piperidine)phenyl boronic acid
CAS Number:
1350835-99-2
IUPAC Name:
[3-(4-methoxypiperidin-1-yl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO3/c1-17-12-5-7-14(8-6-12)11-4-2-3-10(9-11)13(15)16/h2-4,9,12,15-16H,5-8H2,1H3
InChI Key:
DUBLZYRUPFHFFP-UHFFFAOYSA-N
Properties
Complexity:
232
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
Literature
| Title | Journal |
|---|---|
| Identification of novel adenosine A(2A) receptor antagonists by virtual screening. | Journal of medicinal chemistry 20120308 |
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