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123730-64-3 | 4-Piperidinecarboxylic acid, 4-cyano-, ethyl ester, hydrochloride (1:1)
CAS No: 123730-64-3 Catalog No: AG000L05 MDL No:MFCD24387236
Product Description
Catalog Number:
AG000L05
Chemical Name:
4-Piperidinecarboxylic acid, 4-cyano-, ethyl ester, hydrochloride (1:1)
CAS Number:
123730-64-3
Molecular Formula:
C9H15ClN2O2
Molecular Weight:
218.6806
MDL Number:
MFCD24387236
IUPAC Name:
ethyl 4-cyanopiperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C9H14N2O2.ClH/c1-2-13-8(12)9(7-10)3-5-11-6-4-9;/h11H,2-6H2,1H3;1H
InChI Key:
ZLMPLZLHGNPJTA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCNCC1)C#N.Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.082g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.681g/mol
Monoisotopic Mass:
218.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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