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132521-82-5 | 3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester
CAS No: 132521-82-5 Catalog No: AG0010SP MDL No:MFCD05664432
Product Description
Catalog Number:
AG0010SP
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1-piperidinyl)-, methyl ester
CAS Number:
132521-82-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD05664432
IUPAC Name:
methyl 6-piperidin-1-ylpyridine-3-carboxylate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-5-6-11(13-9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChI Key:
UJSPHYCMAZIKQD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)N1CCCCC1
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:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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