Desmethoxyyangonin

CAT: 0127-BUP08949-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08949-01Size:5 mg

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CAS Number

15345-89-8

Synonyms

Desmethoxy yangonin, Demethoxyyangonin, 5,6-Dehydrokavain

Purity

=98%

Smiles

COc1cc(\C=C\c2ccccc2)oc(=O)c1

Chemical Information

Desmethoxyyangonin

5,6-Dehydrokawain is an aromatic ether and a member of 2-pyranones.

CAS Number	15345-89-8
PubChem CID	5273621
IUPAC Name	4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one
Molecular Formula	C14H12O3
Molecular Weight	228.24
XLogP	2.8
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	371

SMILES

COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

InChIKey

DKKJNZYHGRUXBS-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 15345-89-8

CID: 5273621

Formula: C14H12O3

MW: 228.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.24
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.078644241
Monoisotopic Mass	228.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	371
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA8504-10	Desmethoxyyangonin
HY-N0918R	Desmethoxyyangonin (Standard)
371363	Desmethoxyyangonin discontinued