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Home > Pyridines > 778531-36-5
778531-36-5 | Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
CAS No: 778531-36-5 Catalog No: AG00ICW7 MDL No:MFCD26684187
Product Description
Catalog Number:
AG00ICW7
Chemical Name:
Ethyl (2Z)-2-hydroxy-4-oxo-4-(pyridin-3-yl)but-2-enoate
CAS Number:
778531-36-5
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD26684187
IUPAC Name:
ethyl 4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoate
InChI:
InChI=1S/C11H11NO4/c1-2-16-11(15)10(14)6-9(13)8-4-3-5-12-7-8/h3-7,13H,2H2,1H3
InChI Key:
ONCAPYJAPWPPFJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/C(=O)c1cccnc1)/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:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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