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21838-49-3 | α-Ethyl-3-(2-oxo-1-pyrrolidinyl)-2,4,6-triiodohydrocinnamic acid sodium salt
CAS No: 21838-49-3 Catalog No: AG00BQJJ MDL No:
Product Description
Catalog Number:
AG00BQJJ
Chemical Name:
α-Ethyl-3-(2-oxo-1-pyrrolidinyl)-2,4,6-triiodohydrocinnamic acid sodium salt
CAS Number:
21838-49-3
IUPAC Name:
sodium;2-[[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanoate
InChI:
InChI=1S/C15H16I3NO3.Na/c1-2-8(15(21)22)6-9-10(16)7-11(17)14(13(9)18)19-5-3-4-12(19)20;/h7-8H,2-6H2,1H3,(H,21,22);/q;+1/p-1
InChI Key:
AHCVIXUYOZAYIX-UHFFFAOYSA-M
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.808g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
660.992g/mol
Monoisotopic Mass:
660.808g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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