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1174046-84-4 | 3-Pyridinecarboxylic acid, 4-ethoxy-1,2-dihydro-2-oxo-, ethyl ester
CAS No: 1174046-84-4 Catalog No: AG000E90 MDL No:MFCD18911742
Product Description
Catalog Number:
AG000E90
Chemical Name:
3-Pyridinecarboxylic acid, 4-ethoxy-1,2-dihydro-2-oxo-, ethyl ester
CAS Number:
1174046-84-4
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD18911742
IUPAC Name:
ethyl 4-ethoxy-2-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C10H13NO4/c1-3-14-7-5-6-11-9(12)8(7)10(13)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,12)
InChI Key:
CKTIVXCUXUFKSO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(OCC)cc[nH]c1=O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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