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Home > Boronic Acids > 344891-76-5
344891-76-5 | 2,6-Pyridinedicarboxylic acid, 4-borono-, 2,6-diethyl ester
CAS No: 344891-76-5 Catalog No: AG00I6TE MDL No:MFCD13183781
Product Description
Catalog Number:
AG00I6TE
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-borono-, 2,6-diethyl ester
CAS Number:
344891-76-5
Molecular Formula:
C11H14BNO6
Molecular Weight:
267.0430
MDL Number:
MFCD13183781
IUPAC Name:
[2,6-bis(ethoxycarbonyl)pyridin-4-yl]boronic acid
InChI:
InChI=1S/C11H14BNO6/c1-3-18-10(14)8-5-7(12(16)17)6-9(13-8)11(15)19-4-2/h5-6,16-17H,3-4H2,1-2H3
InChI Key:
GCUBELFCYUBRFE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cc(n1)C(=O)OCC)B(O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.044g/mol
Monoisotopic Mass:
267.091g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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