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23279-55-2 | Benzeneacetic acid, 3-(acetylmethylamino)-2,4,6-triiodo-α-propyl-
CAS No: 23279-55-2 Catalog No: AG002MQM MDL No:
Product Description
Catalog Number:
AG002MQM
Chemical Name:
Benzeneacetic acid, 3-(acetylmethylamino)-2,4,6-triiodo-α-propyl-
CAS Number:
23279-55-2
Molecular Formula:
C14H16I3NO3
Molecular Weight:
626.9951
IUPAC Name:
2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenyl]pentanoic acid
InChI:
InChI=1S/C14H16I3NO3/c1-4-5-8(14(20)21)11-9(15)6-10(16)13(12(11)17)18(3)7(2)19/h6,8H,4-5H2,1-3H3,(H,20,21)
InChI Key:
AMIVWKJDCSIIIA-UHFFFAOYSA-N
SMILES:
CCCC(c1c(I)cc(c(c1I)NCC(=O)C)I)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.826g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
626.999g/mol
Monoisotopic Mass:
626.826g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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