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21762-16-3 | α-Ethyl-3-(3-oxomorpholino)-2,4,6-triiodohydrocinnamic acid sodium salt
CAS No: 21762-16-3 Catalog No: AG00BQHT MDL No:
Product Description
Catalog Number:
AG00BQHT
Chemical Name:
α-Ethyl-3-(3-oxomorpholino)-2,4,6-triiodohydrocinnamic acid sodium salt
CAS Number:
21762-16-3
IUPAC Name:
sodium;2-[[2,4,6-triiodo-3-(3-oxomorpholin-4-yl)phenyl]methyl]butanoate
InChI:
InChI=1S/C15H16I3NO4.Na/c1-2-8(15(21)22)5-9-10(16)6-11(17)14(13(9)18)19-3-4-23-7-12(19)20;/h6,8H,2-5,7H2,1H3,(H,21,22);/q;+1/p-1
InChI Key:
LCPPYZDHMISEHA-UHFFFAOYSA-M
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
676.803g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
676.991g/mol
Monoisotopic Mass:
676.803g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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