2-(Tetrahydrofuran-3-yl)acetic Acid - CAS 138498-97-2

Catalog:	BB008772
Product Name:	2-(Tetrahydrofuran-3-yl)acetic Acid
CAS:	138498-97-2
Synonyms:	2-(3-oxolanyl)acetic acid; 2-(oxolan-3-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(oxolan-3-yl)acetic acid
Description:	2-(Tetrahydrofuran-3-yl)acetic Acid (CAS# 138498-97-2) is a useful research chemical compound.
Molecular Weight:	130.14
Molecular Formula:	C6H10O3
Canonical SMILES:	C1COCC1CC(=O)O
InChI:	InChI=1S/C6H10O3/c7-6(8)3-5-1-2-9-4-5/h5H,1-4H2,(H,7,8)
InChI Key:	JSWKBJIKVSXWDJ-UHFFFAOYSA-N
Boiling Point:	271.4 °C at 760 mmHg
Density:	1.162 g/cm³
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD06411265
LogP:	0.49760

Publication Number	Title	Priority Date
WO-2020263980-A1	Imidazo[1,2-a]pyridinyl derivatives and their use in the treatment of disease	20190627
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118
WO-2020052631-A1	Triazolo-pyrimidine compounds and uses thereof	20180912
US-10858365-B2	Triazolo-pyrimidine compounds and uses thereof	20180912
US-2020331918-A1	Triazolo-pyrimidine compounds and uses thereof	20180912

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[1018141-88-2]
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[1006443-01-1]
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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:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.062994177
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	130.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0