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60943-41-1 | ethyl 2,4-dioxo-4-(pyridin-4-yl)butanoate
CAS No: 60943-41-1 Catalog No: AG00JSU5 MDL No:MFCD03411539
Product Description
Catalog Number:
AG00JSU5
Chemical Name:
ethyl 2,4-dioxo-4-(pyridin-4-yl)butanoate
CAS Number:
60943-41-1
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD03411539
IUPAC Name:
ethyl 2,4-dioxo-4-pyridin-4-ylbutanoate
InChI:
InChI=1S/C11H11NO4/c1-2-16-11(15)10(14)7-9(13)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3
InChI Key:
LTFLDEGXNRXHSJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CC(=O)c1ccncc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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