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7230-57-1 | DICHLOROMERCURY; 2-(3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBONYLOXY)ETHYL 6H-PYRIDINE-4-CARBOXYLATE; 2-(3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBONYLOXY)ETHYL 3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBOXYLATE
CAS No: 7230-57-1 Catalog No: AG005IDS MDL No:
Product Description
Catalog Number:
AG005IDS
Chemical Name:
DICHLOROMERCURY; 2-(3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBONYLOXY)ETHYL 6H-PYRIDINE-4-CARBOXYLATE; 2-(3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBONYLOXY)ETHYL 3,4,5,6-TETRAHYDRO-2H-PYRIDINE-4-CARBOXYLATE
CAS Number:
7230-57-1
Molecular Formula:
C28H44Cl2HgN4O8
Molecular Weight:
836.1670
IUPAC Name:
dichloromercury;2-(piperidine-4-carbonyloxy)ethyl 1,2-dihydropyridine-4-carboxylate;2-(piperidine-4-carbonyloxy)ethyl piperidine-4-carboxylate
InChI:
InChI=1S/C14H24N2O4.C14H20N2O4.2ClH.Hg/c2*17-13(11-1-5-15-6-2-11)19-9-10-20-14(18)12-3-7-16-8-4-12;;;/h11-12,15-16H,1-10H2;1-2,5,12,15-16H,3-4,6-10H2;2*1H;/q;;;;+2/p-2
InChI Key:
YQFHJWMKDDIWFM-UHFFFAOYSA-L
SMILES:
O=C(C1CCNCC1)OCCOC(=O)C1CCNCC1.O=C(C1CCNCC1)OCCOC(=O)C1=CCNC=C1.Cl[Hg]Cl
Properties
Complexity:
705
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
836.224g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
836.172g/mol
Monoisotopic Mass:
836.224g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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