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Home > Boronic Acids > 1251537-34-4
1251537-34-4 | Boronic acid, B-(1-acetyl-1,2,3,6-tetrahydro-4-pyridinyl)-
CAS No: 1251537-34-4 Catalog No: AG000N92 MDL No:MFCD18427627
Product Description
Catalog Number:
AG000N92
Chemical Name:
Boronic acid, B-(1-acetyl-1,2,3,6-tetrahydro-4-pyridinyl)-
CAS Number:
1251537-34-4
Molecular Formula:
C7H12BNO3
Molecular Weight:
168.9861
MDL Number:
MFCD18427627
IUPAC Name:
(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)boronic acid
InChI:
InChI=1S/C7H12BNO3/c1-6(10)9-4-2-7(3-5-9)8(11)12/h2,11-12H,3-5H2,1H3
InChI Key:
UZTQRIAEVDHZBR-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCC(=CC1)B(O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.987g/mol
Monoisotopic Mass:
169.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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