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92288-93-2 | ETHYL 2,4-DIOXO-4-(2-PYRIDINYL)BUTANOATE
CAS No: 92288-93-2 Catalog No: AG00GVVC MDL No:MFCD08056636
Product Description
Catalog Number:
AG00GVVC
Chemical Name:
ETHYL 2,4-DIOXO-4-(2-PYRIDINYL)BUTANOATE
CAS Number:
92288-93-2
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD08056636
IUPAC Name:
ethyl 2,4-dioxo-4-pyridin-2-ylbutanoate
InChI:
InChI=1S/C11H11NO4/c1-2-16-11(15)10(14)7-9(13)8-5-3-4-6-12-8/h3-6H,2,7H2,1H3
InChI Key:
FBIPIHMTJUPZJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)CC(=O)c1ccccn1
Properties
Complexity:
288
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:
1.1
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