4,5-Dihydrofuran-3-carboxylic Acid - CAS 98021-62-6

Catalog:	BB042091
Product Name:	4,5-Dihydrofuran-3-carboxylic Acid
CAS:	98021-62-6
Synonyms:	2,3-dihydrofuran-4-carboxylic acid; 2,3-dihydrofuran-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2,3-dihydrofuran-4-carboxylic acid
Description:	4,5-Dihydrofuran-3-carboxylic Acid (CAS# 98021-62-6) is a useful research chemical.
Molecular Weight:	114.10
Molecular Formula:	C5H6O3
Canonical SMILES:	C1COC=C1C(=O)O
InChI:	InChI=1S/C5H6O3/c6-5(7)4-1-2-8-3-4/h3H,1-2H2,(H,6,7)
InChI Key:	XKWMSKXDFJSKJO-UHFFFAOYSA-N
Boiling Point:	224.5 °C at 760 mmHg
Density:	1.369 g/cm³
Storage:	Sealed in dry, Store in freezer, under -20 °C
MDL:	MFCD07369946
LogP:	0.37520

Publication Number	Title	Priority Date
CN-110407776-A	A kind of preparation method of 3- aminomethyl tetrahydrofuran	20190730
CN-110407776-B	Preparation method of 3-aminomethyl tetrahydrofuran	20190730
AU-2015237245-A1	Potent soluble epoxide hydrolase inhibitors	20140327
AU-2015237245-B2	Potent soluble epoxide hydrolase inhibitors	20140327
CN-106163521-A	Effective soluble epoxide hydrolase inhibitors	20140327

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.031694049
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.031694049
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0