2-(3,5-Dimethylisoxazol-4-yl)ethanol - CAS 83467-34-9

Catalog:	BB037029
Product Name:	2-(3,5-Dimethylisoxazol-4-yl)ethanol
CAS:	83467-34-9
Synonyms:	2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanol
Description:	2-(3,5-Dimethylisoxazol-4-yl)ethanol (CAS# 83467-34-9) is a useful research chemical.
Molecular Weight:	141.17
Molecular Formula:	C7H11NO2
Canonical SMILES:	CC1=C(C(=NO1)C)CCO
InChI:	InChI=1S/C7H11NO2/c1-5-7(3-4-9)6(2)10-8-5/h9H,3-4H2,1-2H3
InChI Key:	QVSACOUKYXVIGR-UHFFFAOYSA-N
Boiling Point:	266.261 °C at 760 mmHg
Density:	1.1 g/cm³
MDL:	MFCD00459761
LogP:	0.82620

Publication Number	Title	Priority Date
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
TW-202100515-A	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
CN-108440587-A	A kind of preparation method of list heterocyclic boronic acids	20180413

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Related Functional Groups

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Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.078978594
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	141.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7