3-(4-Iodophenyl)propionic Acid - CAS 1643-29-4

Catalog:	BB012098
Product Name:	3-(4-Iodophenyl)propionic Acid
CAS:	1643-29-4
Synonyms:	3-(4-iodophenyl)propanoic acid; 3-(4-iodophenyl)propanoic acid

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Computed Properties

IUPAC Name:	3-(4-iodophenyl)propanoic acid
Description:	3-(4-Iodophenyl)propionic Acid (CAS# 1643-29-4) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	276.07
Molecular Formula:	C9H9IO2
Canonical SMILES:	C1=CC(=CC=C1CCC(=O)O)I
InChI:	InChI=1S/C9H9IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)
InChI Key:	SJMRZGIIQIWIFS-UHFFFAOYSA-N
Boiling Point:	335.4 °C at 760 mmHg
Density:	1.775 g/cm³
MDL:	MFCD00017597
LogP:	2.30840

Publication Number	Title	Priority Date
JP-2021080183-A	New lysophosphatidic acid derivative	20191114
JP-2020145299-A	Organic electronics materials, ink compositions for organic electronics materials, organic layers for organic electronics equipment and organic electronics equipment	20190306
US-2020157087-A1	Macrocyclic complexes of alpha-emitting radionuclides and their use in targeted radiotherapy of cancer	20181120
WO-2020106886-A1	Macrocyclic complexes of radionuclides and their use in radiotherapy of cancer	20181120
CN-113056288-A	Macrocyclic complexes of radionuclides and their use in radiotherapy of cancer	20181120

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.96473
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	275.96473
Rotatable Bond Count:	3
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5