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2055841-02-4 | 3-Piperidinol, 4-methoxy-, hydrochloride (1:1), (3R,4R)-rel-
CAS No: 2055841-02-4 Catalog No: AG002A88 MDL No:
Product Description
Catalog Number:
AG002A88
Chemical Name:
3-Piperidinol, 4-methoxy-, hydrochloride (1:1), (3R,4R)-rel-
CAS Number:
2055841-02-4
Molecular Formula:
C6H14ClNO2
Molecular Weight:
167.6339
IUPAC Name:
(3S,4S)-4-methoxypiperidin-3-ol;hydrochloride
InChI:
InChI=1S/C6H13NO2.ClH/c1-9-6-2-3-7-4-5(6)8;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m0./s1
InChI Key:
ZGZMZYDWYHFFOT-GEMLJDPKSA-N
SMILES:
CO[C@H]1CCNC[C@@H]1O.Cl
Properties
Complexity:
87.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.633g/mol
Monoisotopic Mass:
167.071g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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