5-Methyl-3-isoxazolemethanol - CAS 35166-33-7

Catalog:	BB022513
Product Name:	5-Methyl-3-isoxazolemethanol
CAS:	35166-33-7
Synonyms:	(5-methyl-3-isoxazolyl)methanol; (5-methyl-1,2-oxazol-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-methyl-1,2-oxazol-3-yl)methanol
Description:	5-Methyl-3-isoxazolemethanol (CAS# 35166-33-7) is a useful research chemical.
Molecular Weight:	113.11
Molecular Formula:	C5H7NO2
Canonical SMILES:	CC1=CC(=NO1)CO
InChI:	InChI=1S/C5H7NO2/c1-4-2-5(3-7)6-8-4/h2,7H,3H2,1H3
InChI Key:	MDYHWQQHEWDJKR-UHFFFAOYSA-N
Boiling Point:	64 °C (0.2 mmHg)
Density:	1.183 g/cm³
MDL:	MFCD00085129
LogP:	0.47530

Publication Number	Title	Priority Date
CN-112321590-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists	20190802
WO-2021023105-A1	Imidazo[2,1-f][1,2,4]triazin-4-amine derivative used as tlr8 agonist	20190802
WO-2020160711-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
TW-202045508-A	Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist	20190207
US-2021171475-A1	Compounds	20180831

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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:	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