Methyl 3-(2-Iodophenyl)-3-oxopropionate - CAS 676348-63-3

Catalog:	BB033353
Product Name:	Methyl 3-(2-Iodophenyl)-3-oxopropionate
CAS:	676348-63-3
Synonyms:	3-(2-iodophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(2-iodophenyl)-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-(2-iodophenyl)-3-oxopropanoate
Description:	Methyl 3-(2-Iodophenyl)-3-oxopropionate (CAS# 676348-63-3 ) is a useful research chemical.
Molecular Weight:	304.08
Molecular Formula:	C10H9IO3
Canonical SMILES:	COC(=O)CC(=O)C1=CC=CC=C1I
InChI:	InChI=1S/C10H9IO3/c1-14-10(13)6-9(12)7-4-2-3-5-8(7)11/h2-5H,6H2,1H3
InChI Key:	LGFREBKLHSCRQF-UHFFFAOYSA-N
LogP:	2.03700

Publication Number	Title	Priority Date
DE-69910799-T2	AS INHIBITORS OF AICAR USEFUL LINKS	19980904
EP-1109560-A1	Compounds useful as aicarft inhibitors	19980904
EP-1109560-A4	COMPOUNDS USEFUL AS AICARFT INHIBITORS	19980904
EP-1109560-B1	Compounds useful as aicarft inhibitors	19980904
US-6525050-B1	(4-oxo-2-pyrimidinyl)thioalkyl compounds useful as AICARFT inhibitors	19980904

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	303.95964
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	303.95964
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3