Diethyl 3,4-Furandicarboxylate - CAS 30614-77-8

Catalog:	BB020659
Product Name:	Diethyl 3,4-Furandicarboxylate
CAS:	30614-77-8
Synonyms:	furan-3,4-dicarboxylic acid diethyl ester; diethyl furan-3,4-dicarboxylate

Technical Data

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Computed Properties

IUPAC Name:	diethyl furan-3,4-dicarboxylate
Description:	Diethyl 3,4-Furandicarboxylate (CAS# 30614-77-8) is a useful research chemical.
Molecular Weight:	212.20
Molecular Formula:	C10H12O5
Canonical SMILES:	CCOC(=O)C1=COC=C1C(=O)OCC
InChI:	InChI=1S/C10H12O5/c1-3-14-9(11)7-5-13-6-8(7)10(12)15-4-2/h5-6H,3-4H2,1-2H3
InChI Key:	ZODFWNHYQARJLC-UHFFFAOYSA-N
Boiling Point:	155 °C
Density:	1.14 g/cm³
MDL:	MFCD00005349
LogP:	1.63300

Publication Number	Title	Priority Date
KR-102096543-B1	Eco-friendly thermoplastic polyether ester elastomer comprising anhydrosugar alcohol derivative and method for preparing the same	20180417
KR-20190121003-A	Eco-friendly thermoplastic polyether ester elastomer comprising anhydrosugar alcohol derivative and method for preparing the same	20180417
WO-2019203542-A1	Environmentally friendly thermoplastic polyether ester elastomer comprising anhydrous sugar alcohol derivatives and method for preparing same	20180417
TW-201930316-A	Heterocyclic benzene sulfonamide and the like	20171222
CN-108727574-B	Thermoplastic polyester elastomer and preparation and application thereof	20170419

PMID	Publication Date	Title	Journal
21589420	20101110	Diethyl 2,5-diphenyl-furan-3,4-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.06847348
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.06847348
Rotatable Bond Count:	6
Topological Polar Surface Area:	65.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4