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1166756-92-8 | 2-Pyridinecarboxylic acid, 6-(1-pyrrolidinyl)-, ethyl ester
CAS No: 1166756-92-8 Catalog No: AG000CYR MDL No:MFCD12198900
Product Description
Catalog Number:
AG000CYR
Chemical Name:
2-Pyridinecarboxylic acid, 6-(1-pyrrolidinyl)-, ethyl ester
CAS Number:
1166756-92-8
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD12198900
IUPAC Name:
ethyl 6-pyrrolidin-1-ylpyridine-2-carboxylate
InChI:
InChI=1S/C12H16N2O2/c1-2-16-12(15)10-6-5-7-11(13-10)14-8-3-4-9-14/h5-7H,2-4,8-9H2,1H3
InChI Key:
MVEKLASYSRICMW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(n1)N1CCCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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