2-(prop-2-ynyloxy)propanoic acid - CAS 134126-59-3

Catalog:	BB072707
Product Name:	2-(prop-2-ynyloxy)propanoic acid
CAS:	134126-59-3
Synonyms:	2-(Prop-2-yn-1-yloxy)propanoic acid; 2-(Prop-2-ynyloxy)propanoic acid; 2-prop-2-ynoxypropanoic acid; 2-(2-propynyloxy)propanoic acid; 2-(Prop-2-ynyloxy)propanoicacid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-prop-2-ynoxypropanoic acid
Description:	2-(prop-2-ynyloxy)propanoic acid (cas# 134126-59-3) is a useful research chemical.
Molecular Weight:	128.13
Molecular Formula:	C6H8O3
Canonical SMILES:	CC(C(=O)O)OCC#C
InChI:	InChI=1S/C6H8O3/c1-3-4-9-5(2)6(7)8/h1,5H,4H2,2H3,(H,7,8)
InChI Key:	ASOPQMMSXAFJQU-UHFFFAOYSA-N
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	Dark Brown to Very Dark Brown Oil
Storage:	4°C, Inert atmosphere

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.047344113
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.047344113
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2