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88013-94-9 | 2-Piperidinecarboxylic acid, 1-methyl-, ethyl ester, (S)-
CAS No: 88013-94-9 Catalog No: AG004JUM MDL No:
Product Description
Catalog Number:
AG004JUM
Chemical Name:
2-Piperidinecarboxylic acid, 1-methyl-, ethyl ester, (S)-
CAS Number:
88013-94-9
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
IUPAC Name:
ethyl (2S)-1-methylpiperidine-2-carboxylate
InChI:
InChI=1S/C9H17NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChI Key:
ZICBNHLULHJETL-QMMMGPOBSA-N
SMILES:
CCOC(=O)[C@@H]1CCCCN1C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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