5-[(propan-2-yloxy)methyl]furan-2-carbaldehyde - CAS 85733-99-9

Catalog:	BB037704
Product Name:	5-[(propan-2-yloxy)methyl]furan-2-carbaldehyde
CAS:	85733-99-9
Synonyms:	5-(propan-2-yloxymethyl)-2-furancarboxaldehyde; 5-(propan-2-yloxymethyl)furan-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-(propan-2-yloxymethyl)furan-2-carbaldehyde
Description:	5-[(propan-2-yloxy)methyl]furan-2-carbaldehyde (CAS# 85733-99-9 ) is a useful research chemical.
Molecular Weight:	168.192
Molecular Formula:	C9H12O3
Canonical SMILES:	CC(C)OCC1=CC=C(O1)C=O
InChI:	InChI=1S/C9H12O3/c1-7(2)11-6-9-4-3-8(5-10)12-9/h3-5,7H,6H2,1-2H3
InChI Key:	NTPOCVMAMVGUPZ-UHFFFAOYSA-N
LogP:	2.01710

Publication Number	Title	Priority Date
CN-112830916-A	Preparation method of 2, 5-furandicarboxylic acid under mild condition	20200702
CN-112830916-B	Preparation method of 2, 5-furandicarboxylic acid under mild condition	20200702
US-2019256483-A1	Prodrug and protected forms of 5-hydroxymethylfurfuranal (5-hmf) and its derivatives	20160722
US-10875834-B2	Prodrug and protected forms of 5-hydroxymethylfurfuranal (5-HMF) and its derivatives	20160722
CN-107200722-B	Raw material for aviation fuel production and preparation method of aviation fuel	20160318

PMID	Publication Date	Title	Journal
22318787	20120501	The formation of furfural compounds in selected saccharide- and polysaccharide-based pharmaceutical excipients	Journal of pharmaceutical sciences
22264628	20120301	Conversion of fructose into 5-hydroxymethylfurfural (HMF) and its derivatives promoted by inorganic salt in alcohol	Carbohydrate research

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Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.078644241
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.078644241
Rotatable Bond Count:	4
Topological Polar Surface Area:	39.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8