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1-(2-phenylethynyl)-2-pyrrolidinone

1-(2-phenylethynyl)-2-pyrrolidinone - CAS 683246-77-7

Catalog:	BB033522
Product Name:	1-(2-phenylethynyl)-2-pyrrolidinone
CAS:	683246-77-7
Synonyms:	1-(2-phenylethynyl)pyrrolidin-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-phenylethynyl)pyrrolidin-2-one
Description:	1-(2-phenylethynyl)-2-pyrrolidinone (CAS# 683246-77-7 ) is a useful research chemical.
Molecular Weight:	185.22
Molecular Formula:	C12H11NO
Canonical SMILES:	C1CC(=O)N(C1)C#CC2=CC=CC=C2
InChI:	InChI=1S/C12H11NO/c14-12-7-4-9-13(12)10-8-11-5-2-1-3-6-11/h1-3,5-6H,4,7,9H2
InChI Key:	HTTSVXZDXSLAOJ-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
WO-2019207447-A1	Method for the treatment and/or prevention of damaged keratin	20180426
AU-2019259637-A1	Method for the treatment and/or prevention of damaged keratin	20180426
CN-112105341-A	A method for treating and/or preventing damaged keratin	20180426
BR-112020021514-A2	METHOD FOR THE TREATMENT AND / OR PREVENTION OF DAMAGED KERATIN	20180426

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.084063974
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9