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7009-60-1 | pheniodol sodium
CAS No: 7009-60-1 Catalog No: AG00FFGO MDL No:
Product Description
Catalog Number:
AG00FFGO
Chemical Name:
pheniodol sodium
CAS Number:
7009-60-1
IUPAC Name:
sodium;3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoate
InChI:
InChI=1S/C15H12I2O3.Na/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10;/h1-5,7-8,11,18H,6H2,(H,19,20);/q;+1/p-1
InChI Key:
JFFBJAOFKRCWPX-UHFFFAOYSA-M
EC Number:
230-288-5
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.87g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
516.049g/mol
Monoisotopic Mass:
515.87g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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