3-Methoxyflavone

CAT: 0926-FM67113-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FM67113-02Size:10 g

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CAS Number

7245-02-5

MDL Number

MFCD00017612

Smiles

COC1=C (Oc2ccccc2C1=O) c3ccccc3

Molecular Formula

C16H12O3

Molecular Weight

252.26 g/mol

Controlled

Chemical Information

3-Methoxyflavone

from Aspergillus niger; structure in first source

CAS Number	7245-02-5
PubChem CID	146013
IUPAC Name	3-methoxy-2-phenylchromen-4-one
Molecular Formula	C16H12O3
Molecular Weight	252.26
XLogP	3.7
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	379

SMILES

COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3

InChI

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

InChIKey

ZAIANDVQAMEDFL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7245-02-5

CID: 146013

Formula: C16H12O3

MW: 252.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	252.26
XLogP3	3.7
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	379
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