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138769-61-6 | 4-Pyridinecarboxylic acid, 2-[[(2-methoxyethyl)amino]carbonyl]-
CAS No: 138769-61-6 Catalog No: AG0019J1 MDL No:
Product Description
Catalog Number:
AG0019J1
Chemical Name:
4-Pyridinecarboxylic acid, 2-[[(2-methoxyethyl)amino]carbonyl]-
CAS Number:
138769-61-6
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
2-(2-methoxyethylcarbamoyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C10H12N2O4/c1-16-5-4-12-9(13)8-6-7(10(14)15)2-3-11-8/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15)
InChI Key:
HFJWTKUCJDFCCX-UHFFFAOYSA-N
SMILES:
COCCNC(=O)c1cc(ccn1)C(=O)O
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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