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1255099-39-8 | 3-Piperidinecarboxylic acid, 2-methyl-, ethyl ester, hydrochloride (1:1), (2R,3S)-rel-
CAS No: 1255099-39-8 Catalog No: AG000NSJ MDL No:MFCD24850084
Product Description
Catalog Number:
AG000NSJ
Chemical Name:
3-Piperidinecarboxylic acid, 2-methyl-, ethyl ester, hydrochloride (1:1), (2R,3S)-rel-
CAS Number:
1255099-39-8
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
MDL Number:
MFCD24850084
IUPAC Name:
ethyl (2R,3S)-2-methylpiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C9H17NO2.ClH/c1-3-12-9(11)8-5-4-6-10-7(8)2;/h7-8,10H,3-6H2,1-2H3;1H/t7-,8+;/m1./s1
InChI Key:
KMXDWCJZWWWMEY-WLYNEOFISA-N
SMILES:
C[C@H]1NCCC[C@@H]1C(=O)OCC.Cl
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/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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