CAS 1136-86-3 | Ethanone, 1-(3,4,5-trimethoxyphenyl)- | CAS Number 1136-86-3

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1136-86-3 | Ethanone, 1-(3,4,5-trimethoxyphenyl)-

CAS No: 1136-86-3 Catalog No: AG000943 MDL No:MFCD00008738

Product Description

Catalog Number:

AG000943

Chemical Name:

Ethanone, 1-(3,4,5-trimethoxyphenyl)-

CAS Number:

1136-86-3

Molecular Formula:

C11H14O4

Molecular Weight:

210.2265

MDL Number:

MFCD00008738

IUPAC Name:

1-(3,4,5-trimethoxyphenyl)ethanone

InChI:

InChI=1S/C11H14O4/c1-7(12)8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,1-4H3

InChI Key:

VUGQIIQFXCXZJU-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1OC)OC)C(=O)C

EC Number:

214-501-9

NSC Number:

30099

Properties

Complexity:

203

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

210.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.229g/mol

Monoisotopic Mass:

210.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Atropa belladonna hairy roots: orchestration of concurrent oxidation and reduction reactions for biotransformation of carbonyl compounds.	Applied biochemistry and biotechnology 20120301
(E)-3-(2,4-Dimeth-oxy-phen-yl)-1-(3,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one.	Acta crystallographica. Section E, Structure reports online 20120101
Light-directed radial combinatorial chemistry: orthogonal safety-catch protecting groups for the synthesis of small molecule microarrays.	Journal of the American Chemical Society 20041229