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trans-2-Hydroxy-β-nitrostyrene

trans-2-Hydroxy-β-nitrostyrene - CAS 3156-43-2

Catalog:	BB020974
Product Name:	trans-2-Hydroxy-β-nitrostyrene
CAS:	3156-43-2
Synonyms:	2-[(E)-2-nitroethenyl]phenol

Technical Data

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Computed Properties

IUPAC Name:	2-[(E)-2-nitroethenyl]phenol
Description:	trans-2-Hydroxy-β-nitrostyrene (CAS# 3156-43-2) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	C1=CC=C(C(=C1)C=C[N+](=O)[O-])O
InChI:	InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+
InChI Key:	PMDYAIGGZBRBFX-AATRIKPKSA-N
Boiling Point:	320.2 °C at 760 mmHg
Density:	1.32 g/cm³
MDL:	MFCD01204157
LogP:	2.16280

Publication Number	Title	Priority Date
CN-110041340-B	6-aryl-benzofuran carbazole compounds and preparation and application thereof	20190528
EP-2982368-A1	Small molecule compounds displacing focal adhesion core components	20140804
US-2012270769-A1	Methods of using macrocyclic inhibitors of serine protease enzymes	20091023
US-2012270807-A1	Macrocyclic inhibitors of serine protease enzymes	20091023
WO-2011050270-A2	Macrocyclic inhibitors of serine protease enzymes	20091023

PMID	Publication Date	Title	Journal
19709889	20090915	E-Combretastatin and E-resveratrol structural modifications: antimicrobial and cancer cell growth inhibitory beta-E-nitrostyrenes	Bioorganic & medicinal chemistry
17574419	20070815	Synthesis and biological evaluation of N-acetyl-beta-aryl-1,2-didehydroethylamines as new HIV-1 RT inhibitors in vitro	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	66 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9