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Home > Boronic Acids > 454482-11-2
454482-11-2 | 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
CAS No: 454482-11-2 Catalog No: AG0038PP MDL No:MFCD11506069
Product Description
Catalog Number:
AG0038PP
Chemical Name:
1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester
CAS Number:
454482-11-2
Molecular Formula:
C12H22BNO2
Molecular Weight:
223.1196
MDL Number:
MFCD11506069
IUPAC Name:
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C12H22BNO2/c1-11(2)12(3,4)16-13(15-11)10-6-8-14(5)9-7-10/h6H,7-9H2,1-5H3
InChI Key:
SQMVRFXDBRYXFQ-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.123g/mol
Monoisotopic Mass:
223.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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