(±)-2-Acetoxypropionic acid - CAS 535-17-1

Catalog:	BB028257
Product Name:	(±)-2-Acetoxypropionic acid
CAS:	535-17-1
Synonyms:	2-acetyloxypropanoic acid

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Computed Properties

IUPAC Name:	2-acetyloxypropanoic acid
Description:	(±)-2-Acetoxypropionic acid (CAS# 535-17-1 ) is a useful research chemical.
Molecular Weight:	132.11
Molecular Formula:	C5H8O4
Canonical SMILES:	CC(C(=O)O)OC(=O)C
InChI:	InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
InChI Key:	WTLNOANVTIKPEE-UHFFFAOYSA-N
Boiling Point:	226.4 °C at 760 mmHg
Density:	1.205 g/cm³
LogP:	0.02260

Publication Number	Title	Priority Date
CN-113215065-A	Bacillus aryabhattai resistant to heavy metal copper and application thereof	20210623
CN-111714494-A	Application of compound regulator in regulating metabolic disorder caused by artemisinin sensitive/resistant plasmodium infection	20200727
WO-2021195126-A1	Anti-infective and anti-viral compounds and compositions	20200324
US-2021279857-A1	Devices and methos for detecting or monitoring the quality of food products	20200303
WO-2021094341-A1	Cell culture media	20191114

PMID	Publication Date	Title	Journal
22970650	20121009	Glyoxylate carboligase: a unique thiamin diphosphate-dependent enzyme that can cycle between the 4'-aminopyrimidinium and 1',4'-iminopyrimidine tautomeric forms in the absence of the conserved glutamate	Biochemistry
23038161	20121001	Construction of self-cloning bottom-fermenting yeast with low vicinal diketone production by the homo-integration of ILV5	Yeast (Chichester, England)
21915590	20120901	Influence of blocking of 2,3-butanediol pathway on glycerol metabolism for 1,3-propanediol production by Klebsiella oxytoca	Applied biochemistry and biotechnology
22307918	20120601	Interactions between the root pathogen Rhizoctonia solani AG-8 and acetolactate-synthase-inhibiting herbicides in barley	Pest management science
22318084	20120601	Fermentative biohydrogen production from lactate and acetate	Bioresource technology

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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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.04225873
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.04225873
Rotatable Bond Count:	3
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1