Flindersiachromone - CAS 61828-53-3

Catalog:	BB031275
Product Name:	Flindersiachromone
CAS:	61828-53-3
Synonyms:	2-(2-Phenylethyl)chromone; 2-PHENETHYLCHROMONE

Technical Data

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Computed Properties

IUPAC Name:	2-(2-phenylethyl)chromen-4-one
Description:	Flindersiachromone is found in the herbs of Aquilaria sinensis.
Molecular Weight:	250.29
Molecular Formula:	C17H14O2
Canonical SMILES:	C1=CC=C(C=C1)CCC2=CC(=O)C3=CC=CC=C3O2
InChI:	InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2
InChI Key:	VNZNWFQJBFLELF-UHFFFAOYSA-N
Boiling Point:	393.1 °C at 760 mmHg
Purity:	> 95 %
Density:	1.173 g/cm³
Appearance:	Powder
LogP:	3.57820

Publication Number	Title	Priority Date
CN-113498816-A	Agilawood tea powder and preparation method and application thereof	20210610
CN-113264912-A	Extraction method and application of 2- (2-phenethyl) chromone component in Kyara	20210520
CN-113208147-A	Artificial phoebe nanus smokeless incense with diversified aroma and preparation method thereof	20210512
CN-112826874-A	Agilawood extraction process	20210221
CN-113016820-A	Inducer for promoting agaric tree to produce fragrance	20210209

PMID	Publication Date	Title	Journal
23124654	20121215	Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry	Rapid communications in mass spectrometry : RCM
22945027	20120903	Structural characterization and identification of major constituents in Jitai tablets by high-performance liquid chromatography/diode-array detection coupled with electrospray ionization tandem mass spectrometry	Molecules (Basel, Switzerland)
22243963	20120401	2-(2-phenylethyl)chromones from Chinese eaglewood	Phytochemistry
20959422	20101201	Characterization of delta-guaiene synthases from cultured cells of Aquilaria, responsible for the formation of the sesquiterpenes in agarwood	Plant physiology
20420317	20100301	New 2-(2-phenylethyl)chromone derivatives from the seeds of Cucumis melo L var. reticulatus	Natural product communications

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Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.099379685
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.099379685
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2