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Home > Boronic Acids > 1426245-63-7
1426245-63-7 | (3-Methyl-4-morpholinophenyl)boronic acid
CAS No: 1426245-63-7 Catalog No: AG003JPY MDL No:MFCD16495874
Product Description
Catalog Number:
AG003JPY
Chemical Name:
(3-Methyl-4-morpholinophenyl)boronic acid
CAS Number:
1426245-63-7
Molecular Formula:
C11H16BNO3
Molecular Weight:
221.0606
MDL Number:
MFCD16495874
IUPAC Name:
(3-methyl-4-morpholin-4-ylphenyl)boronic acid
InChI:
InChI=1S/C11H16BNO3/c1-9-8-10(12(14)15)2-3-11(9)13-4-6-16-7-5-13/h2-3,8,14-15H,4-7H2,1H3
InChI Key:
SPIHCTVLDYDVCE-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1N1CCOCC1)B(O)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.063g/mol
Monoisotopic Mass:
221.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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