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160037-58-1 | 2-Pyridinepropanoic acid, α-[(dimethylamino)methylene]-β-oxo-, ethyl ester
CAS No: 160037-58-1 Catalog No: AG001RM5 MDL No:
Product Description
Catalog Number:
AG001RM5
Chemical Name:
2-Pyridinepropanoic acid, α-[(dimethylamino)methylene]-β-oxo-, ethyl ester
CAS Number:
160037-58-1
Molecular Formula:
C13H16N2O3
Molecular Weight:
248.2777
IUPAC Name:
ethyl 2-[3-(dimethylamino)pyridine-2-carbonyl]prop-2-enoate
InChI:
InChI=1S/C13H16N2O3/c1-5-18-13(17)9(2)12(16)11-10(15(3)4)7-6-8-14-11/h6-8H,2,5H2,1,3-4H3
InChI Key:
XQFPMSQWMMLAJO-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=CN(C)C)C(=O)c1ccccn1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.282g/mol
Monoisotopic Mass:
248.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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