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167097-00-9 | 1-Piperidinecarboxylic acid, 3,4-dihydroxy-, phenylmethyl ester, (3R,4R)-rel-
CAS No: 167097-00-9 Catalog No: AG001X48 MDL No:MFCD09910262
Product Description
Catalog Number:
AG001X48
Chemical Name:
1-Piperidinecarboxylic acid, 3,4-dihydroxy-, phenylmethyl ester, (3R,4R)-rel-
CAS Number:
167097-00-9
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD09910262
IUPAC Name:
benzyl (3S,4S)-3,4-dihydroxypiperidine-1-carboxylate
InChI:
InChI=1S/C13H17NO4/c15-11-6-7-14(8-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12-/m0/s1
InChI Key:
RNUMISHXYWFZCE-RYUDHWBXSA-N
SMILES:
O[C@@H]1CCN(C[C@H]1O)C(=O)OCc1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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