3-formylfuran-2-carboxylic acid - CAS 29182-07-8

Catalog:	BB020121
Product Name:	3-formylfuran-2-carboxylic acid
CAS:	29182-07-8
Synonyms:	3-formyl-2-furancarboxylic acid; 3-formylfuran-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-formylfuran-2-carboxylic acid
Description:	3-formylfuran-2-carboxylic acid (CAS# 29182-07-8 ) is a useful research chemical.
Molecular Weight:	140.094
Molecular Formula:	C6H4O4
Canonical SMILES:	C1=COC(=C1C=O)C(=O)O
InChI:	InChI=1S/C6H4O4/c7-3-4-1-2-10-5(4)6(8)9/h1-3H,(H,8,9)
InChI Key:	ICRNLRSCBXVFAL-UHFFFAOYSA-N
LogP:	0.79030

Publication Number	Title	Priority Date
WO-2021195953-A1	Method for preparing 2,5-furandicarboxylic acid	20200331
WO-2021123240-A1	Process for the synthesis of 2,5-furandicarboxylic acid	20191220
WO-2021124354-A1	A process for the synthesis of furandicarboxylic acid	20191219
WO-2021106230-A1	Novel phenol compound or salt thereof	20191129
WO-2020190043-A1	Method for producing 5-alkoxy-methylfurfural and 2,5-furandicarboxylic acid from fructose	20190321

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Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.0109586
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.0109586
Rotatable Bond Count:	2
Topological Polar Surface Area:	67.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3