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1026-47-7 | 3-Piperidinecarboxylic acid, 4-oxo-1-phenyl-, ethyl ester, hydrochloride (1:1)
CAS No: 1026-47-7 Catalog No: AG0007VY MDL No:MFCD18711416
Product Description
Catalog Number:
AG0007VY
Chemical Name:
3-Piperidinecarboxylic acid, 4-oxo-1-phenyl-, ethyl ester, hydrochloride (1:1)
CAS Number:
1026-47-7
Molecular Formula:
C14H18ClNO3
Molecular Weight:
283.7506
MDL Number:
MFCD18711416
IUPAC Name:
ethyl 4-oxo-1-phenylpiperidine-3-carboxylate
InChI:
InChI=1S/C14H17NO3/c1-2-18-14(17)12-10-15(9-8-13(12)16)11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3
InChI Key:
SRZRBQSYAYJVBD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(CCC1=O)c1ccccc1.Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.294g/mol
Monoisotopic Mass:
247.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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