Methyl 3-(4-Iodophenyl)-3-oxopropionate - CAS 1691841-09-4

Catalog:	BB012523
Product Name:	Methyl 3-(4-Iodophenyl)-3-oxopropionate
CAS:	1691841-09-4
Synonyms:	3-(4-iodophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(4-iodophenyl)-3-oxopropanoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-(4-iodophenyl)-3-oxopropanoate
Description:	Methyl 3-(4-Iodophenyl)-3-oxopropionate (CAS# 1691841-09-4 ) is a useful research chemical.
Molecular Weight:	304.08
Molecular Formula:	C10H9IO3
Canonical SMILES:	COC(=O)CC(=O)C1=CC=C(C=C1)I
InChI:	InChI=1S/C10H9IO3/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChI Key:	IPFQUUYMEDLRKW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
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
WO-0013688-A1	Compounds useful as aicarft inhibitors	19980904

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	219
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