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Home > Boronic Acids > 1643573-74-3
1643573-74-3 | 1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
CAS No: 1643573-74-3 Catalog No: AG001UU3 MDL No:MFCD16660985
Product Description
Catalog Number:
AG001UU3
Chemical Name:
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, phenylmethyl ester
CAS Number:
1643573-74-3
Molecular Formula:
C19H26BNO4
Molecular Weight:
343.2250
MDL Number:
MFCD16660985
IUPAC Name:
benzyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
InChI:
InChI=1S/C19H26BNO4/c1-18(2)19(3,4)25-20(24-18)16-11-8-12-21(13-16)17(22)23-14-15-9-6-5-7-10-15/h5-7,9-11H,8,12-14H2,1-4H3
InChI Key:
ZZUPINGQWPCARD-UHFFFAOYSA-N
SMILES:
O=C(N1CCC=C(C1)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.195g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.23g/mol
Monoisotopic Mass:
343.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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