Name: Name:trans-2-Nitrocinnamaldehyde
Brand: Angene
SKU: AG003UWK
Rating: 90 (10 reviews)

trans-2-Nitrocinnamaldehyde

CAS No.:

66894-06-2

Catalog Number:

AG003UWK

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

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Product Description

Catalog Number:

AG003UWK

Chemical Name:

trans-2-Nitrocinnamaldehyde

CAS Number:

66894-06-2

Molecular Formula:

C9H7NO3

Molecular Weight:

177.1568

MDL Number:

MFCD00007188

IUPAC Name:

3-(2-nitrophenyl)prop-2-enal

InChI:

InChI=1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H

InChI Key:

VMSMELHEXDVEDE-UHFFFAOYSA-N

SMILES:

O=C/C=C/c1ccccc1[N+](=O)[O-]

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.159g/mol

Monoisotopic Mass:

177.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

62.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-cyclo-hex-2-en-1-one).	Acta crystallographica. Section E, Structure reports online 20120101
(E)-2,2'-[3-(2-Nitro-phen-yl)prop-2-ene-1,1-di-yl]bis-(3-hy-droxy-5,5-dimethyl-cyclo-hex-2-en-1-one).	Acta crystallographica. Section E, Structure reports online 20111201
Structure-activity relationship of cinnamaldehyde analogs as inhibitors of AI-2 based quorum sensing and their effect on virulence of Vibrio spp.	PloS one 20110101
Organocatalytic asymmetric robinson annulation of alpha,beta-unsaturated aldehydes: applications to the total synthesis of (+)-palitantin.	The Journal of organic chemistry 20071026