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1414958-07-8 | 2-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride (1:1)
CAS No: 1414958-07-8 Catalog No: AG001GHC MDL No:MFCD22689295
Product Description
Catalog Number:
AG001GHC
Chemical Name:
2-Piperidinecarboxylic acid, 4-oxo-, methyl ester, hydrochloride (1:1)
CAS Number:
1414958-07-8
Molecular Formula:
C7H12ClNO3
Molecular Weight:
193.6281
MDL Number:
MFCD22689295
IUPAC Name:
methyl 4-oxopiperidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C7H11NO3.ClH/c1-11-7(10)6-4-5(9)2-3-8-6;/h6,8H,2-4H2,1H3;1H
InChI Key:
XFHDDBJHNKDEQM-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC(=O)CCN1.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.627g/mol
Monoisotopic Mass:
193.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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