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101-29-1 | 1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-
CAS No: 101-29-1 Catalog No: AG0003FK MDL No:MFCD00006185
Product Description
Catalog Number:
AG0003FK
Chemical Name:
1(4H)-Pyridineacetic acid, 3,5-diiodo-4-oxo-
CAS Number:
101-29-1
Molecular Formula:
C7H5I2NO3
Molecular Weight:
404.9284
MDL Number:
MFCD00006185
IUPAC Name:
2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid
InChI:
InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)
InChI Key:
PVBALTLWZVEAIO-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(I)c(=O)c(c1)I
EC Number:
202-932-5
UNII:
NLX9TZ649P
NSC Number:
60718
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.836g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.93g/mol
Monoisotopic Mass:
404.836g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Coumarin-based, electron-trapping iridium complexes as highly efficient and stable phosphorescent emitters for organic light-emitting diodes. | Inorganic chemistry 20100215 |
| Transport of 99mTc-MAG3 via rat renal organic anion transporter 1. | Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20040101 |
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