2'-Methoxyflavone

CAT: 0926-FM67453-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FM67453-01Size:1 g

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CAS Number

19725-47-4

MDL Number

MFCD00016923

Smiles

COC1=CC=CC=C1C2=CC (=O) C3=CC=CC=C3O2

Molecular Formula

C16H12O3

Molecular Weight

252.26 g/mol

Controlled

Chemical Information

2'-Methoxyflavone

2'-methoxyflavone is an ether and a member of flavonoids.

CAS Number	19725-47-4
PubChem CID	146492
IUPAC Name	2-(2-methoxyphenyl)chromen-4-one
Molecular Formula	C16H12O3
Molecular Weight	252.26
XLogP	3.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	374

SMILES

COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C16H12O3/c1-18-14-8-4-3-7-12(14)16-10-13(17)11-6-2-5-9-15(11)19-16/h2-10H,1H3

InChIKey

YEHDMSUNJUONMW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19725-47-4

CID: 146492

Formula: C16H12O3

MW: 252.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.26
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	252.078644241
Monoisotopic Mass	252.078644241
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	374
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes