1- (6-Methoxy-2H-chromen-3-yl) -hexan-1-one

CAT: 0024-sc-357433ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-357433ASize:5 g

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CAS Number

850350-12-8

Chemical Information

1-(6-Methoxy-2H-chromen-3-yl)-hexan-1-one

CAS Number	850350-12-8
PubChem CID	17750010
IUPAC Name	1-(6-methoxy-2H-chromen-3-yl)hexan-1-one
Molecular Formula	C16H20O3
Molecular Weight	260.33
XLogP	3.5
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	19
Formal Charge	0
Complexity	335

SMILES

CCCCCC(=O)C1=CC2=C(C=CC(=C2)OC)OC1

InChI

InChI=1S/C16H20O3/c1-3-4-5-6-15(17)13-9-12-10-14(18-2)7-8-16(12)19-11-13/h7-10H,3-6,11H2,1-2H3

InChIKey

ADVKYKHXRPGKDA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 850350-12-8

CID: 17750010

Formula: C16H20O3

MW: 260.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.33
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	260.14124450
Monoisotopic Mass	260.14124450
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	335
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

Catalog	Name
sc-357434A	1- (6-Methoxy-2H-chromen-3-yl) -propan-1-one
sc-357434	1- (6-Methoxy-2H-chromen-3-yl) -propan-1-one
sc-302522A	1- (8-Methoxy-2H-chromen-3-yl) -1-ethanone
sc-302522	1- (8-Methoxy-2H-chromen-3-yl) -1-ethanone
sc-343657A	(2E) -3- (6-methoxy-2H-chromen-3-yl) acrylic acid
sc-343657	(2E) -3- (6-methoxy-2H-chromen-3-yl) acrylic acid
sc-357435A	1- (6-methoxy-2H-chromene-3-yl) ethan-1-one
sc-357435	1- (6-methoxy-2H-chromene-3-yl) ethan-1-one
sc-312266	3-Acetyl-6-methoxy-2H-chromen-2-one
sc-343666A	(2E) -3- (8-methoxy-2H-chromen-3-yl) acrylic acid

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