Methoxyyangonin

CAT: 0926-CAA74314-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA74314-02Size:50 mg

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CAS Number

2743-14-8

MDL Number

MFCD30544608

Smiles

C1CCN (C1) C2=NN=C (C=C2) C (F) (F) F

Molecular Formula

C16H16O5

Molecular Weight

288.29 g/mol

Controlled

Chemical Information

11-Methoxyyangonin

11-Methoxyyangonin is an aromatic ether and a member of 2-pyranones.

CAS Number	2743-14-8
PubChem CID	5458436
IUPAC Name	6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
Molecular Formula	C16H16O5
Molecular Weight	288.29
XLogP	2.7
Topological Polar Surface Area	54
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	463

SMILES

COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=O)O2)OC)OC

InChI

InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4+

InChIKey

GBJRDULCMRSYSL-GQCTYLIASA-N

Chemical Structure

2D Structure

CAS: 2743-14-8

CID: 5458436

Formula: C16H16O5

MW: 288.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.29
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	288.09977361
Monoisotopic Mass	288.09977361
Topological Polar Surface Area	54 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	463
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
BUP09529-01	11-Methoxyyangonin