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51023-67-7 | Piperidinium, 4-(methoxycarbonyl)-1,1-dimethyl-, iodide
CAS No: 51023-67-7 Catalog No: AG006UQG MDL No:
Product Description
Catalog Number:
AG006UQG
Chemical Name:
Piperidinium, 4-(methoxycarbonyl)-1,1-dimethyl-, iodide
CAS Number:
51023-67-7
Molecular Formula:
C9H18INO2
Molecular Weight:
299.1492
IUPAC Name:
methyl 1,1-dimethylpiperidin-1-ium-4-carboxylate;iodide
InChI:
InChI=1S/C9H18NO2.HI/c1-10(2)6-4-8(5-7-10)9(11)12-3;/h8H,4-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
SUTUWKJZSQJFPA-UHFFFAOYSA-M
SMILES:
COC(=O)C1CC[N+](CC1)(C)C.[I-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.152g/mol
Monoisotopic Mass:
299.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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