Desoxyanisoin

CAT: 0024-sc-239662Size: 100 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239662Size:100 g

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CAS Number

120-44-5

Chemical Information

Desoxyanisoin

1,2-Bis(4-methoxyphenyl)ethanone has been reported in Myroxylon peruiferum with data available.

CAS Number	120-44-5
PubChem CID	67120
IUPAC Name	1,2-bis(4-methoxyphenyl)ethanone
Molecular Formula	C16H16O3
Molecular Weight	256.30
XLogP	3.1
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	274

SMILES

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

InChI

InChI=1S/C16H16O3/c1-18-14-7-3-12(4-8-14)11-16(17)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3

InChIKey

SICBLYCPRWNHHP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120-44-5

CID: 67120

Formula: C16H16O3

MW: 256.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.30
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	256.109944368
Monoisotopic Mass	256.109944368
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	274
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
GTR19227758-01	Desoxyanisoin
D01940-01	Desoxyanisoin 97%