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1153769-18-6 | 4-Piperidinecarboxylic acid, 1-[(4-chloro-2-pyridinyl)carbonyl]-
CAS No: 1153769-18-6 Catalog No: AG000GNG MDL No:MFCD12094724
Product Description
Catalog Number:
AG000GNG
Chemical Name:
4-Piperidinecarboxylic acid, 1-[(4-chloro-2-pyridinyl)carbonyl]-
CAS Number:
1153769-18-6
Molecular Formula:
C12H13ClN2O3
Molecular Weight:
268.6962
MDL Number:
MFCD12094724
IUPAC Name:
1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C12H13ClN2O3/c13-9-1-4-14-10(7-9)11(16)15-5-2-8(3-6-15)12(17)18/h1,4,7-8H,2-3,5-6H2,(H,17,18)
InChI Key:
YYZDHXCAZBYURQ-UHFFFAOYSA-N
SMILES:
O=C(c1nccc(c1)Cl)N1CCC(CC1)C(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.061g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.697g/mol
Monoisotopic Mass:
268.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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