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21762-18-5

21762-18-5 | α-Ethyl-3-(2-oxopiperidino)-2,4,6-triiodohydrocinnamic acid sodium salt

CAS No: 21762-18-5 Catalog No: AG00BQIJ MDL No:

Product Description

Catalog Number:
AG00BQIJ
Chemical Name:
α-Ethyl-3-(2-oxopiperidino)-2,4,6-triiodohydrocinnamic acid sodium salt
CAS Number:
21762-18-5
IUPAC Name:
sodium;2-[[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]methyl]butanoate
InChI:
InChI=1S/C16H18I3NO3.Na/c1-2-9(16(22)23)7-10-11(17)8-12(18)15(14(10)19)20-6-4-3-5-13(20)21;/h8-9H,2-7H2,1H3,(H,22,23);/q;+1/p-1
InChI Key:
SKHQUQQKCKCRNK-UHFFFAOYSA-M

Properties

Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
674.824g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
675.019g/mol
Monoisotopic Mass:
674.824g/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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