3-(4-cyanophenyl)acrylic acid - CAS 18664-39-6

Catalog:	BB014359
Product Name:	3-(4-cyanophenyl)acrylic acid
CAS:	18664-39-6
Synonyms:	(E)-3-(4-cyanophenyl)-2-propenoic acid; (E)-3-(4-cyanophenyl)prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-(4-cyanophenyl)prop-2-enoic acid
Description:	3-(4-cyanophenyl)acrylic acid (CAS# 18664-39-6) is a useful research chemical.
Molecular Weight:	173.17
Molecular Formula:	C10H7NO2
Canonical SMILES:	C1=CC(=CC=C1C=CC(=O)O)C#N
InChI:	InChI=1S/C10H7NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-6H,(H,12,13)/b6-5+
InChI Key:	USVZQKYCNGNRBV-AATRIKPKSA-N
LogP:	1.65608

Publication Number	Title	Priority Date
WO-2021037774-A1	Compositions of polymerizable liquid crystals	20190828
WO-2021013780-A1	Photo-alignable positive c-plate retarder	20190724
WO-2020260617-A1	New polymerizable liquid crystal having a carbazole core	20190628
WO-2020260621-A1	New polymerizable liquid crystal having a quinoxaline-hydrazone core	20190628
WO-2020260624-A1	New polymerizable liquid crystal	20190628

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[89908-23-6]
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[5650-34-0]
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[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
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[17746-05-3]
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GHS Hazard Statement:	H302 (100%): 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:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	173.047678466
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.047678466
Rotatable Bond Count:	2
Topological Polar Surface Area:	61.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5