Tetrahydrofuran-3-carboxylic Acid - CAS 89364-31-8

Catalog:	BB039448
Product Name:	Tetrahydrofuran-3-carboxylic Acid
CAS:	89364-31-8
Synonyms:	3-oxolanecarboxylic acid; oxolane-3-carboxylic acid

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IUPAC Name:	oxolane-3-carboxylic acid
Description:	Tetrahydrofuran-3-carboxylic Acid (CAS# 89364-31-8) is a reagent in the synthesis of class II c-Met inhibitors, in the treatment of c-Met dependant tumors.
Molecular Weight:	116.12
Molecular Formula:	C5H8O3
Canonical SMILES:	C1COCC1C(=O)O
InChI:	InChI=1S/C5H8O3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)
InChI Key:	BOTREHHXSQGWTR-UHFFFAOYSA-N
Boiling Point:	140 ℃
Density:	1.214 g/cm³
MDL:	MFCD00075173
LogP:	0.10750

Publication Number	Title	Priority Date
CN-113381074-A	Low-temperature electrolyte and application thereof	20210527
CN-112851603-A	Preparation method of (3R) -tetrahydro-3-furanmethanamine	20210113
CN-111727970-A	Pesticide containing furan compound and application thereof	20200320
CN-111727970-B	Pesticide containing furan compound and application thereof	20200320
WO-2021124172-A1	3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20191218

PMID	Publication Date	Title	Journal
21476569	20110511	Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition	Journal of agricultural and food chemistry

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GHS Hazard Statement:	H315 (97.56%): 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:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.047344113
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3