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1373126-40-9 | 2-Pyridinecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxy-, ethyl ester
CAS No: 1373126-40-9 Catalog No: AG001332 MDL No:
Product Description
Catalog Number:
AG001332
Chemical Name:
2-Pyridinecarboxylic acid, 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxy-, ethyl ester
CAS Number:
1373126-40-9
Molecular Formula:
C14H20BNO5
Molecular Weight:
293.1233
IUPAC Name:
ethyl 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxypyridine-2-carboxylate
InChI:
InChI=1S/C14H20BNO5/c1-5-19-13(17)11-7-6-10(12(16-11)18-4)15-20-8-14(2,3)9-21-15/h6-7H,5,8-9H2,1-4H3
InChI Key:
OZFQCZWJGLNWQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(n1)OC)B1OCC(CO1)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.126g/mol
Monoisotopic Mass:
293.143g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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