3-(2-Naphthyl)prop-2-ynoic acid - CAS 4843-43-0

Catalog:	BB026541
Product Name:	3-(2-Naphthyl)prop-2-ynoic acid
CAS:	4843-43-0
Synonyms:	3-naphthalen-2-ylprop-2-ynoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-naphthalen-2-ylprop-2-ynoic acid
Description:	3-(2-Naphthyl)prop-2-ynoic acid (CAS# 4843-43-0) is used in manufacturing pyrazole-based microporous organic polymer for high-performance CO2 capture and alkyne carboxylation.
Molecular Weight:	196.20
Molecular Formula:	C13H8O2
Canonical SMILES:	C1=CC=C2C=C(C=CC2=C1)C#CC(=O)O
InChI:	InChI=1S/C13H8O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-5,7,9H,(H,14,15)
InChI Key:	XWMRRMQMFPBLTP-UHFFFAOYSA-N
Boiling Point:	411.7 ℃ at 760 mmHg
Purity:	95 %
Density:	1.29 g/cm³
MDL:	MFCD00181402
LogP:	2.27590

Publication Number	Title	Priority Date
KR-20200136773-A	Fluoroalkene precursor and synthetic method thereof, and preparation of fluoroalkene compounds using the same	20190528
WO-2020242046-A1	Fluoroalkene compound precursor, method for synthesizing precursor, and method for preparing fluoroalkene compound by using precursor	20190528
KR-102234565-B1	Fluoroalkene precursor and synthetic method thereof, and preparation of fluoroalkene compounds using the same	20190528
CA-2336470-A1	Salts of paroxetine	19980702
EP-1091958-A1	Salts of paroxetine	19980702

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.052429494
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.052429494
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6