[(3,4,5-²H₃)furan-2-yl](²H)formaldehyde - CAS 1219803-80-1

Catalog:	BB005313
Product Name:	[(3,4,5-²H₃)furan-2-yl](²H)formaldehyde
CAS:	1219803-80-1
Synonyms:	deuterio-(3,4,5-trideuterio-2-furanyl)methanone; deuterio-(3,4,5-trideuteriofuran-2-yl)methanone

Technical Data

Patents

Computed Properties

IUPAC Name:	deuterio-(3,4,5-trideuteriofuran-2-yl)methanone
Description:	[(3,4,5-²H₃)furan-2-yl](²H)formaldehyde (CAS# 1219803-80-1) is the labeled form of Furfural, a fermentation inhibitor.
Molecular Weight:	100.109
Molecular Formula:	C5H4O2
Canonical SMILES:	C1=COC(=C1)C=O
InChI:	InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H/i1D,2D,3D,4D
InChI Key:	HYBBIBNJHNGZAN-RHQRLBAQSA-N
LogP:	2.40740

Publication Number	Title	Priority Date
WO-2020212145-A1	Coffee composition and process	20190417
CN-113423278-A	Coffee compositions and methods	20190417
WO-2019170813-A1	Flavour composition	20180307
BR-112020015988-A2	FLAVORIZING COMPOSITION	20180307
EP-3761807-A1	Flavour composition	20180307

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Related Functional Groups

Furans

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[438218-12-3]
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[937598-55-5]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carbohydrazide
[893645-73-3]
6-(Furan-2-yl)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[827594-60-5]
Ethyl 5-(4-fluorophenyl)-7-(1,1,2,2,2-pentafluoroethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
[676643-01-9]
Ethyl 7-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Complexity:	70.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.04623635
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	4
Monoisotopic Mass:	100.04623635
Rotatable Bond Count:	1
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4