4-(Hydroxymethyl)-5-methylisoxazole - CAS 100367-49-5

Catalog:	BB000198
Product Name:	4-(Hydroxymethyl)-5-methylisoxazole
CAS:	100367-49-5
Synonyms:	(5-methyl-4-isoxazolyl)methanol; (5-methyl-1,2-oxazol-4-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,2-oxazol-4-yl)methanol
Description:	4-(Hydroxymethyl)-5-methylisoxazole (CAS# 100367-49-5) is a useful research chemical.
Molecular Weight:	113.11
Molecular Formula:	C5H7NO2
Canonical SMILES:	CC1=C(C=NO1)CO
InChI:	InChI=1S/C5H7NO2/c1-4-5(3-7)2-6-8-4/h2,7H,3H2,1H3
InChI Key:	NRKINZVWZUPBPP-UHFFFAOYSA-N
LogP:	0.47530

Publication Number	Title	Priority Date
WO-2018148745-A1	Compounds and their methods of use	20170213
US-2020247793-A1	Compounds and their methods of use	20170213
AU-2015359082-A1	2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of PARG	20141212
CA-2969296-A1	2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg	20141212
EP-3230273-A1	2,4-dioxo-quinazoline-6-sulfonamide derivatives as inhibitors of parg	20141212

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.047678466
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1