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1241898-91-8

1241898-91-8 | 4-Pyridinecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester

CAS No: 1241898-91-8 Catalog No: AG000LMK MDL No:MFCD08752744

Product Description

Catalog Number:
AG000LMK
Chemical Name:
4-Pyridinecarboxylic acid, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester
CAS Number:
1241898-91-8
Molecular Formula:
C14H20BNO4
Molecular Weight:
277.1239
MDL Number:
MFCD08752744
IUPAC Name:
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carboxylate
InChI:
InChI=1S/C14H20BNO4/c1-6-18-12(17)10-7-8-16-11(9-10)15-19-13(2,3)14(4,5)20-15/h7-9H,6H2,1-5H3
InChI Key:
QGGNPJDHUQPYMM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.149g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.127g/mol
Monoisotopic Mass:
277.149g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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