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Home > Boronic Acids > 1349734-00-4
1349734-00-4 | 1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CAS No: 1349734-00-4 Catalog No: AG00HTTU MDL No:MFCD27959317
Product Description
Catalog Number:
AG00HTTU
Chemical Name:
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one
CAS Number:
1349734-00-4
Molecular Formula:
C13H20BNO3
Molecular Weight:
249.1138
MDL Number:
MFCD27959317
IUPAC Name:
1-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
InChI:
InChI=1S/C13H20BNO3/c1-6-15-9-10(7-8-11(15)16)14-17-12(2,3)13(4,5)18-14/h7-9H,6H2,1-5H3
InChI Key:
GARRLDCODNEYEC-UHFFFAOYSA-N
SMILES:
CCn1cc(ccc1=O)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.117g/mol
Monoisotopic Mass:
249.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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