AG000GWD

1158-10-7 | 3-[4-(4-Hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid

AG000GWD

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CAS Number	1158-10-7
Catalog Number	AG000GWD(AGN-PC-0JPMR8)
Chemical Name	3-[4-(4-Hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
IUPAC Name	3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI	InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
InChI Key	WONYMNWUJVKVII-UHFFFAOYSA-N
MDL Number	MFCD00045945
Molecular Formula	C15H12I2O4
Molecular Weight	510.0623
SMILES	OC(CCC1=CC(I)=C(OC2=CC=C(O)C=C2)C(I)=C1)=O
UNII	1HTO2X0SJ9
Synonyms	3,5-diiodothyropropionic acid, 3,5-DITPA, DITPA cpd, 3,5-Diiodothyropropionic acid, 1158-10-7, DITPA, 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid, 3,5-Ditpa, UNII-1HTO2X0SJ9, Benzenepropanoic acid, 4-(4-hydroxyphenoxy)-3,5-diiodo-, 3 5-DIIODOTHYROPROPIONIC ACID, 1HTO2X0SJ9, CHEMBL2348292, DIPTA, 3-(4-(4-Hydroxyphenoxy)-3,5-diiodophenyl)propanoic acid, 3-[4-(4-Hydroxyphenoxy)-3,5-diiodophenyl]-propanoic acid, 3,5-Diiodo-4-(4-hydroxyphenoxy)hydrocinnamic acid, Benzenepropanoic acid,4-(4-hydroxyphenoxy)-3,5-diiodo-, Dipro, AC1L4NUR, AC1Q4PM7, 3,5-diiodothyropropanoic acid, SCHEMBL1501771, DTXSID8040939, CTK4A9492, CHEBI:134267, ZINC3972069, ZX-AN013690, 9590AC, BDBM50431457, MFCD00045945, AKOS005174585, DB12629, MCULE-7776798357, AB0218170, R1771, J-003326, 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propionic acid, DITPA cpd, DITPA), D0WM6E, C15H12I2O4, AR-1F1057, AR-1F1058, CID160565, C15-H12-I2-O4, C082182, Hydrocinnamic acid, 4-(p-hydroxyphenoxy)-3,5-diiodo-, 13362-59-9, 13365-47-4,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	509.883g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	510.066g/mol
Monoisotopic Mass	509.883g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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