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716362-70-8 | 3-Piperidinecarboxylicacid, 4-hydroxy-1-methyl-, (3R,4S)-
CAS No: 716362-70-8 Catalog No: AG005G92 MDL No:MFCD28037346
Product Description
Catalog Number:
AG005G92
Chemical Name:
3-Piperidinecarboxylicacid, 4-hydroxy-1-methyl-, (3R,4S)-
CAS Number:
716362-70-8
Molecular Formula:
C7H13NO3
Molecular Weight:
159.1830
MDL Number:
MFCD28037346
IUPAC Name:
(3R,4S)-4-hydroxy-1-methylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C7H13NO3/c1-8-3-2-6(9)5(4-8)7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChI Key:
MHUFHLAYWGDGHK-RITPCOANSA-N
SMILES:
CN1CC[C@@H]([C@@H](C1)C(=O)O)O
Properties
Complexity:
160
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:
1
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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