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177759-45-4 | 3-Pyridinecarboxylic acid, 6-(ethylamino)-, methyl ester
CAS No: 177759-45-4 Catalog No: AG0025IO MDL No:
Product Description
Catalog Number:
AG0025IO
Chemical Name:
3-Pyridinecarboxylic acid, 6-(ethylamino)-, methyl ester
CAS Number:
177759-45-4
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
methyl 6-(ethylamino)pyridine-3-carboxylate
InChI:
InChI=1S/C9H12N2O2/c1-3-10-8-5-4-7(6-11-8)9(12)13-2/h4-6H,3H2,1-2H3,(H,10,11)
InChI Key:
MWRWWXCNTRUSJT-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cn1)C(=O)OC
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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