2-(Hydroxymethyl)oxazole - CAS 130551-92-7

Catalog:	BB007136
Product Name:	2-(Hydroxymethyl)oxazole
CAS:	130551-92-7
Synonyms:	2-oxazolylmethanol; 1,3-oxazol-2-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1,3-oxazol-2-ylmethanol
Description:	2-(Hydroxymethyl)oxazole (CAS# 130551-92-7) is used in the synthetic preparation of pyridazine derivatives as EAAT2 activators for treating or preventing diseases.
Molecular Weight:	99.09
Molecular Formula:	C4H5NO2
Canonical SMILES:	C1=COC(=N1)CO
InChI:	InChI=1S/C4H5NO2/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
InChI Key:	IEHJKGRLVGZCMX-UHFFFAOYSA-N
Boiling Point:	174.615 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD08703642
LogP:	0.16690

Publication Number	Title	Priority Date
WO-2021191378-A1	5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer	20200326
KR-20210094191-A	Photo-decomposable compound, photoresist composition comprising the same, and method of manufacturing integrated circuit device	20200120
US-2021223692-A1	Photo-decomposable compound, photoresist composition including the same, and method of manufacturing integrated circuit device	20200120
WO-2021122415-A1	Furoindazole derivatives	20191219
US-2021130303-A1	Ras inhibitors	20191104

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	99.032028402
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	99.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5