Name: Name:3,4,5-Trimethoxyphenylacetonitrile
Brand: AABLOCKS
SKU: AA0014OD
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0014OD

Chemical Name: 3,4,5-Trimethoxyphenylacetonitrile

CAS Number: 13338-63-1

Molecular Formula: C11H13NO3

Molecular Weight: 207.2258

MDL Number: MFCD00001912

SMILES: N#CCc1cc(OC)c(c(c1)OC)OC

NSC Number: 97556

Properties

BP: 346.25°C (rough estimate)

Form: Solid

MP: 77-79 °C(lit.)

Refractive Index: 1.5100 (estimate)

Storage: Keep in dry area;Room Temperature;

Complexity: 221

Covalently-Bonded Unit Count: 1

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 4

Rotatable Bond Count: 4

XLogP3: 1.1

Literature fold

Title: (Z)-3-(1H-Indol-3-yl)-2-(3,4,5-tri-methoxy-phen-yl)acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20120301

Title: (Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri-meth-oxy-phen-yl)acrylonitrile.

Journal: Acta crystallographica. Section E, Structure reports online20120301

Title: (Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].

Journal: Acta crystallographica. Section C, Crystal structure communications20071201

13338-63-1 | 3,4,5-Trimethoxyphenylacetonitrile