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1155-40-4 | Benzeneacetic acid, 4-(4-hydroxyphenoxy)-3,5-diiodo-
CAS No: 1155-40-4 Catalog No: AG000G2Q MDL No:
Product Description
Catalog Number:
AG000G2Q
Chemical Name:
Benzeneacetic acid, 4-(4-hydroxyphenoxy)-3,5-diiodo-
CAS Number:
1155-40-4
Molecular Formula:
C14H10I2O4
Molecular Weight:
496.0357
IUPAC Name:
2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]acetic acid
InChI:
InChI=1S/C14H10I2O4/c15-11-5-8(7-13(18)19)6-12(16)14(11)20-10-3-1-9(17)2-4-10/h1-6,17H,7H2,(H,18,19)
InChI Key:
KKJBNMLZBHFYAE-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(I)c(c(c1)I)Oc1ccc(cc1)O
EC Number:
214-582-0
NSC Number:
90463
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.867g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
496.039g/mol
Monoisotopic Mass:
495.867g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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