trans-4-Nitrocinnamic Acid - CAS 882-06-4

Catalog:	BB038783
Product Name:	trans-4-Nitrocinnamic Acid
CAS:	882-06-4
Synonyms:	(E)-3-(4-nitrophenyl)-2-propenoic acid; (E)-3-(4-nitrophenyl)prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-(4-nitrophenyl)prop-2-enoic acid
Description:	trans-4-Nitrocinnamic Acid (CAS# 882-06-4) is a useful research chemical.
Molecular Weight:	193.16
Molecular Formula:	C9H7NO4
Canonical SMILES:	C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H7NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6H,(H,11,12)/b6-3+
InChI Key:	XMMRNCHTDONGRJ-ZZXKWVIFSA-N
Boiling Point:	346 °C
Density:	1.411 g/cm³
Appearance:	Yellow powder
LogP:	2.21580

Publication Number	Title	Priority Date
CN-113416199-A	Lycorine beta-aryl acrylate derivative and preparation method and application thereof	20210720
CN-112876365-A	Methyl rupestonic acid derivative containing cinnamoyl and preparation method and application thereof	20210220
CN-111892537-A	Aporphine alkaloid derivative and preparation method and application thereof	20200804
EP-3865535-A1	New method of synthesis of chitosan derivatives and uses thereof	20200211
WO-2021160667-A1	New method of synthesis of chitosan derivatives and uses thereof	20200211

PMID	Publication Date	Title	Journal
21036782	20101201	Mutational analysis of phenylalanine ammonia lyase to improve reactions rates for various substrates	Protein engineering, design & selection : PEDS
19368353	20090422	Synthesis and structure--activity relationships of substituted cinnamic acids and amide analogues: a new class of herbicides	Journal of agricultural and food chemistry
15125954	20040607	Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition	Bioorganic & medicinal chemistry letters
14526914	20031001	Substituent effects in the BF3-mediated acylation of phenols with cinnamic acids	Natural product research

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
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[333311-69-6]
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[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	193.03750770
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	193.03750770
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1