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37398-59-7 | 1,1-diethyl-3-hydroxy-3-methyl-2-methylidenepyrrolidinium iodide
CAS No: 37398-59-7 Catalog No: AG0079W5 MDL No:
Product Description
Catalog Number:
AG0079W5
Chemical Name:
1,1-diethyl-3-hydroxy-3-methyl-2-methylidenepyrrolidinium iodide
CAS Number:
37398-59-7
Molecular Formula:
C10H20INO
Molecular Weight:
297.1764
IUPAC Name:
1,1-diethyl-3-methyl-2-methylidenepyrrolidin-1-ium-3-ol;iodide
InChI:
InChI=1S/C10H20NO.HI/c1-5-11(6-2)8-7-10(4,12)9(11)3;/h12H,3,5-8H2,1-2,4H3;1H/q+1;/p-1
InChI Key:
IQBLKULKZRFYEP-UHFFFAOYSA-M
SMILES:
CC[N+]1(CC)CCC(C1=C)(C)O.[I-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.18g/mol
Monoisotopic Mass:
297.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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