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Home > Boronic Acids > 1194488-90-8
1194488-90-8 | 1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS No: 1194488-90-8 Catalog No: AG000ISG MDL No:MFCD14635514
Product Description
Catalog Number:
AG000ISG
Chemical Name:
1,3(2H)-Pyridinedicarboxylic acid, 5,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1-(1,1-dimethylethyl) 3-ethyl ester
CAS Number:
1194488-90-8
Molecular Formula:
C19H32BNO6
Molecular Weight:
381.2715
MDL Number:
MFCD14635514
IUPAC Name:
1-O-tert-butyl 5-O-ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C19H32BNO6/c1-9-24-15(22)13-12-21(16(23)25-17(2,3)4)11-10-14(13)20-26-18(5,6)19(7,8)27-20/h9-12H2,1-8H3
InChI Key:
VOAVTORWJQDFET-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=C(CCN(C1)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.232g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.276g/mol
Monoisotopic Mass:
381.232g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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