CAS 1485-00-3 | 1,3-Benzodioxole, 5-(2-nitroethenyl)- | CAS Number 1485-00-3

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1485-00-3 | 1,3-Benzodioxole, 5-(2-nitroethenyl)-

CAS No: 1485-00-3 Catalog No: AG001KYU MDL No:MFCD00014575

Product Description

Catalog Number:

AG001KYU

Chemical Name:

1,3-Benzodioxole, 5-(2-nitroethenyl)-

CAS Number:

1485-00-3

Molecular Formula:

C9H7NO4

Molecular Weight:

193.1562

MDL Number:

MFCD00014575

IUPAC Name:

5-[(E)-2-nitroethenyl]-1,3-benzodioxole

InChI:

InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+

InChI Key:

KFLWBZPSJQPRDD-ONEGZZNKSA-N

SMILES:

[O-][N+](=O)C=Cc1ccc2c(c1)OCO2

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.158g/mol

Monoisotopic Mass:

193.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

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Identification of compounds that modulate retinol signaling using a cell-based qHTS assay.	Toxicology in vitro : an international journal published in association with BIBRA 20160401
Inhibiting the Inflammasome: A Chemical Perspective.	Journal of medicinal chemistry 20160310
A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.	The Biochemical journal 20130415
Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.	Nature biotechnology 20111101
The synthesis and biologic evaluation of anti-platelet and cytotoxic β-nitrostyrenes.	Bioorganic & medicinal chemistry 20101101
E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes.	Bioorganic & medicinal chemistry 20090915
Synthesis and pharmacological evaluation of novel beta-nitrostyrene derivatives as tyrosine kinase inhibitors with potent antiplatelet activity.	Biochemical pharmacology 20070815
Prevention of platelet glycoprotein IIb/IIIa activation by 3,4-methylenedioxy-beta-nitrostyrene, a novel tyrosine kinase inhibitor.	Molecular pharmacology 20061001
Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells.	The Journal of biological chemistry 20020419