1-(4-Chlorophenyl)-2-propyn-1-ol - CAS 29805-11-6

Catalog:	BB020328
Product Name:	1-(4-Chlorophenyl)-2-propyn-1-ol
CAS:	29805-11-6
Synonyms:	1-(4-chlorophenyl)-2-propyn-1-ol; 1-(4-chlorophenyl)prop-2-yn-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(4-chlorophenyl)prop-2-yn-1-ol
Description:	1-(4-Chlorophenyl)-2-propyn-1-ol (CAS# 29805-11-6 ) is a useful research chemical.
Molecular Weight:	166.60
Molecular Formula:	C9H7ClO
Canonical SMILES:	C#CC(C1=CC=C(C=C1)Cl)O
InChI:	InChI=1S/C9H7ClO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChI Key:	LPJLPGPHEDSJHU-UHFFFAOYSA-N
Boiling Point:	253.3 °C at 760 mmHg
Density:	1.255 g/cm³
LogP:	2.00660

Publication Number	Title	Priority Date
CN-112979610-A	Diacetylene diol compound, and synthetic method and application thereof	20210305
US-10383831-B2	2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use	20150803
US-2018243239-A1	2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use	20150803
WO-2017023912-A1	2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use	20150803
KR-101504189-B1	METHOD OF PREPARING FURO[3.2-c]COUMARIN DERIVATIVES USING Cu CATALYST	20141002

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Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0185425
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.0185425
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2