2-Nitrocinnamic Acid - CAS 1013-96-3

Catalog:	BB000502
Product Name:	2-Nitrocinnamic Acid
CAS:	1013-96-3
Synonyms:	(E)-3-(2-nitrophenyl)-2-propenoic acid; (E)-3-(2-nitrophenyl)prop-2-enoic acid

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(2-nitrophenyl)prop-2-enoic acid
Description:	2-Nitrocinnamic Acid (CAS# 1013-96-3) is a useful research chemical.
Molecular Weight:	193.16
Molecular Formula:	C9H7NO4
Canonical SMILES:	C1=CC=C(C(=C1)C=CC(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+
InChI Key:	BBQDLDVSEDAYAA-AATRIKPKSA-N
Boiling Point:	383.3 °C at 760 mmHg
Density:	1.411 g/cm³
Solubility:	>29 [ug/mL] (The mean of the results at pH 7.4)
LogP:	2.21580

Publication Number	Title	Priority Date
CN-113416199-A	Lycorine beta-aryl acrylate derivative and preparation method and application thereof	20210720
CN-113024573-A	Epodophyllotoxin derivative, preparation method and application thereof in preparation of antitumor drugs	20191224
CN-111018735-A	Preparation method of cinnamamide	20191205
CN-111018735-B	Preparation method of cinnamamide compound	20191205
WO-2021014710-A1	Component recovery mechanism, component recovery container, component recovery kit, component recovery system, culture container, culture system, and method for producing cells	20190722

PMID	Publication Date	Title	Journal
21577409	20090808	Sodium 2-nitro-cinnamate dihydrate: a one-dimensional hydrogen-bonded coordination polymer	Acta crystallographica. Section E, Structure reports online
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

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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:	256
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:	1.5