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trans-2-Methoxy-β-nitrostyrene

trans-2-Methoxy-β-nitrostyrene - CAS 3316-24-3

Catalog:	BB021582
Product Name:	trans-2-Methoxy-β-nitrostyrene
CAS:	3316-24-3
Synonyms:	1-methoxy-2-[(E)-2-nitroethenyl]benzene

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Computed Properties

IUPAC Name:	1-methoxy-2-[(E)-2-nitroethenyl]benzene
Description:	trans-2-Methoxy-β-nitrostyrene (CAS# 3316-24-3) is a useful research chemical.
Molecular Weight:	179.17
Molecular Formula:	C9H9NO3
Canonical SMILES:	COC1=CC=CC=C1C=C[N+](=O)[O-]
InChI:	InChI=1S/C9H9NO3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3/b7-6+
InChI Key:	FVKSRNVYJXQCLK-VOTSOKGWSA-N
Boiling Point:	299.8 °C at 760 mmHg
Melting Point:	46-50 °C
Purity:	95 %
Density:	1.189 g/cm³
Storage:	Keep Cold
MDL:	MFCD00070647
LogP:	2.46580

Publication Number	Title	Priority Date
CN-111848678-A	Phosphorus-containing thienopyrimidine derivatives	20190430
CN-107188771-B	Chiral synthesis method of gamma-nitrophenol compound	20170525
EP-3625222-A1	Phenyl derivatives as pge2 receptor modulators	20170518
WO-2018210994-A1	Phenyl derivatives as pge2 receptor modulators	20170518
AU-2018251758-A1	Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof	20170410

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 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	179.058243149
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	55 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1