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1822471-17-9 | 2-Piperidinecarboxylic acid, 1-phenyl-, methyl ester
CAS No: 1822471-17-9 Catalog No: AG0023IA MDL No:
Product Description
Catalog Number:
AG0023IA
Chemical Name:
2-Piperidinecarboxylic acid, 1-phenyl-, methyl ester
CAS Number:
1822471-17-9
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
methyl 1-phenylpiperidine-2-carboxylate
InChI:
InChI=1S/C13H17NO2/c1-16-13(15)12-9-5-6-10-14(12)11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3
InChI Key:
VOKNWLCXVZXJEN-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCN1c1ccccc1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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