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115655-08-8 | 3-Piperidinecarboxylic acid, ethyl ester, hydrochloride (1:1), (3S)-
CAS No: 115655-08-8 Catalog No: AG000GPF MDL No:MFCD08461264
Product Description
Catalog Number:
AG000GPF
Chemical Name:
3-Piperidinecarboxylic acid, ethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
115655-08-8
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD08461264
IUPAC Name:
ethyl (3S)-piperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-2-11-8(10)7-4-3-5-9-6-7;/h7,9H,2-6H2,1H3;1H/t7-;/m0./s1
InChI Key:
ZCEGLOKZSLNARG-FJXQXJEOSA-N
SMILES:
CCOC(=O)[C@H]1CCCNC1.Cl
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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