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methyl 4-(4-hydroxypiperidin-4-yl)oxane-4-carboxylate hydrochloride

CAS No.:
2138535-32-5
Catalog Number:
AG01EMR2
Molecular Formula:
C12H22ClNO4
Molecular Weight:
279.7604
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Product Description
Catalog Number:
AG01EMR2
Chemical Name:
methyl 4-(4-hydroxypiperidin-4-yl)oxane-4-carboxylate hydrochloride
CAS Number:
2138535-32-5
Molecular Formula:
C12H22ClNO4
Molecular Weight:
279.7604
MDL Number:
MFCD31559201
IUPAC Name:
methyl 4-(4-hydroxypiperidin-4-yl)oxane-4-carboxylate;hydrochloride
InChI:
InChI=1S/C12H21NO4.ClH/c1-16-10(14)11(4-8-17-9-5-11)12(15)2-6-13-7-3-12;/h13,15H,2-9H2,1H3;1H
InChI Key:
HTEVRTCIAVJBCK-UHFFFAOYSA-N
SMILES:
COC(=O)C1(CCOCC1)C1(O)CCNCC1.Cl
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.124g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
279.761g/mol
Monoisotopic Mass:
279.124g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties