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1638772-09-4 | 3-Piperidinecarboxylic acid, 5-methyl-, methyl ester, hydrochloride (1:1), (3R,5S)-rel-
CAS No: 1638772-09-4 Catalog No: AG001UIL MDL No:
Product Description
Catalog Number:
AG001UIL
Chemical Name:
3-Piperidinecarboxylic acid, 5-methyl-, methyl ester, hydrochloride (1:1), (3R,5S)-rel-
CAS Number:
1638772-09-4
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
IUPAC Name:
methyl (3R,5S)-5-methylpiperidine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C8H15NO2.ClH/c1-6-3-7(5-9-4-6)8(10)11-2;/h6-7,9H,3-5H2,1-2H3;1H/t6-,7+;/m0./s1
InChI Key:
JWBUUGGYBZEBNC-UOERWJHTSA-N
SMILES:
COC(=O)[C@H]1CNC[C@H](C1)C.Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
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:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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