(5-Isopropyl-1,2,4-oxadiazol-3-yl)methanol - CAS 915924-67-3

Catalog:	BB040273
Product Name:	(5-Isopropyl-1,2,4-oxadiazol-3-yl)methanol
CAS:	915924-67-3
Synonyms:	(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanol
Description:	(5-Isopropyl-1,2,4-oxadiazol-3-yl)methanol (CAS# 915924-67-3) is a useful research chemical.
Molecular Weight:	142.16
Molecular Formula:	C6H10N2O2
Canonical SMILES:	CC(C)C1=NC(=NO1)CO
InChI:	InChI=1S/C6H10N2O2/c1-4(2)6-7-5(3-9)8-10-6/h4,9H,3H2,1-2H3
InChI Key:	VGQFCAAVDHZPFI-UHFFFAOYSA-N
Boiling Point:	252.3 °C at 760 mmHg
Purity:	95 %
Density:	1.159 g/cm³
LogP:	0.68530

Publication Number	Title	Priority Date
US-2017049734-A1	Quantitative peri-orbital application of ophthalmology drugs	20150819
US-9820954-B2	Quantitative peri-orbital application of ophthalmology drugs	20150819
WO-2017031137-A1	Quantitative peri-orbital application of ophthalmology drugs	20150819
EP-3297990-A1	Sodium channel modulators	20150326
US-10577308-B2	Sodium channel modulators	20150326

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.074227566
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5