2-Isopropoxypropanoic acid - CAS 79885-46-4

Catalog:	BB036422
Product Name:	2-Isopropoxypropanoic acid
CAS:	79885-46-4
Synonyms:	2-propan-2-yloxypropanoic acid

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Computed Properties

IUPAC Name:	2-propan-2-yloxypropanoic acid
Description:	2-Isopropoxypropanoic acid (CAS# 79885-46-4) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C6H12O3
Canonical SMILES:	CC(C)OC(C)C(=O)O
InChI:	InChI=1S/C6H12O3/c1-4(2)9-5(3)6(7)8/h4-5H,1-3H3,(H,7,8)
InChI Key:	MWDCBSZUHUONCE-UHFFFAOYSA-N
Boiling Point:	222.3 °C at 760 mmHg
Density:	1.021 g/cm³
MDL:	MFCD09864396
LogP:	0.88450

Publication Number	Title	Priority Date
WO-2021105086-A1	Non-thiol nitrogen based hydrophobic polymer brush materials and use thereof for modification of substrate surfaces	20191126
WO-2020148305-A1	ENHANCED DIRECTED SELF-ASSEMBLY IN THE PRESENCE OF LOW Tg OLIGOMERS FOR PATTERN FORMATION	20190117
WO-2020115090-A1	Rapid cross-linkable neutral underlayers for contact hole self-assembly of polystyrene-b- poly(methyl methacrylate) diblock copolymers and their formulation thereof	20181207
EP-3769156-A1	Negative-working ultra thick film photoresist	20180323
WO-2019170745-A1	Herbicidal compounds	20180308

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	98.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.078644241
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.078644241
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9