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21762-29-8 | SODIUM 2-[2,4,6-TRIIODO-3-(2-OXOPYRROLIDIN-1-YL)PHENYL]BUTANOATE
CAS No: 21762-29-8 Catalog No: AG007P75 MDL No:
Product Description
Catalog Number:
AG007P75
Chemical Name:
SODIUM 2-[2,4,6-TRIIODO-3-(2-OXOPYRROLIDIN-1-YL)PHENYL]BUTANOATE
CAS Number:
21762-29-8
Molecular Formula:
C14H13I3NNaO3
Molecular Weight:
646.9611
IUPAC Name:
sodium;2-[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]butanoate
InChI:
InChI=1S/C14H14I3NO3.Na/c1-2-7(14(20)21)11-8(15)6-9(16)13(12(11)17)18-5-3-4-10(18)19;/h6-7H,2-5H2,1H3,(H,20,21);/q;+1/p-1
InChI Key:
RPDVHRWFXVGKHV-UHFFFAOYSA-M
SMILES:
CCC(c1c(I)cc(c(c1I)N1CCCC1=O)I)C(=O)[O-].[Na+]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
646.793g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
646.965g/mol
Monoisotopic Mass:
646.793g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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