3-Iodopropionic acid - CAS 141-76-4

Catalog:	BB009232
Product Name:	3-Iodopropionic acid
CAS:	141-76-4
Synonyms:	3-iodopropanoic acid

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Computed Properties

IUPAC Name:	3-iodopropanoic acid
Description:	3-Iodopropionic acid (CAS# 141-76-4 ) is a useful research chemical.
Molecular Weight:	199.98
Molecular Formula:	C3H5IO2
Canonical SMILES:	C(CI)C(=O)O
InChI:	InChI=1S/C3H5IO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
InChI Key:	KMRNTNDWADEIIX-UHFFFAOYSA-N
Boiling Point:	259.7 ℃ at 760 mmHg
Melting Point:	81.5 °C
Density:	2.185 g/cm³
Solubility:	74.3 mg/mL at 25 °C
Appearance:	Solid
Storage:	Keep in dark place, Sealed in dry, 2-8 ℃
MDL:	MFCD00002765
LogP:	0.89610

Publication Number	Title	Priority Date
WO-2015192183-A1	Hetero functional binding systems	20140617
EP-2848605-A1	Methods for preparing acrylic acid from biobased starting materials	20130916
US-2015080604-A1	Methods for preparing acrylic acid from biobased starting materials	20130916
WO-2014178435-A1	Compound having azo skeleton structure, pigment-dispersing agent, pigment composition, pigment dispersion, and toner	20130430
US-2015276753-A1	Molecular sensor and methods of use thereof	20121231

PMID	Publication Date	Title	Journal
21269433	20110126	Bisphenol A induces otolith malformations during vertebrate embryogenesis	BMC developmental biology
16207056	20051011	Fe3O4-LiMo3Se3 nanoparticle clusters as superparamagnetic nanocompasses	Langmuir : the ACS journal of surfaces and colloids

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	52.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.93343
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.93343
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1