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83563-72-8 | 3-Piperidinecarboxylicacid, 4-hydroxy-, methyl ester, (3R,4S)-rel-
CAS No: 83563-72-8 Catalog No: AG0057KF MDL No:
Product Description
Catalog Number:
AG0057KF
Chemical Name:
3-Piperidinecarboxylicacid, 4-hydroxy-, methyl ester, (3R,4S)-rel-
CAS Number:
83563-72-8
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
IUPAC Name:
methyl (3R,4S)-4-hydroxypiperidine-3-carboxylate
InChI:
InChI=1S/C7H13NO3/c1-11-7(10)5-4-8-3-2-6(5)9/h5-6,8-9H,2-4H2,1H3/t5-,6+/m1/s1
InChI Key:
KQOGWNKGUKQZHP-RITPCOANSA-N
SMILES:
COC(=O)[C@@H]1CNCC[C@@H]1O
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
159.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.185g/mol
Monoisotopic Mass:
159.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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