1-(3-Chlorophenyl)-2-propyn-1-ol - CAS 29805-12-7

Catalog:	BB020329
Product Name:	1-(3-Chlorophenyl)-2-propyn-1-ol
CAS:	29805-12-7
Synonyms:	1-(3-chlorophenyl)-2-propyn-1-ol; 1-(3-chlorophenyl)prop-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	1-(3-chlorophenyl)prop-2-yn-1-ol
Description:	1-(3-Chlorophenyl)-2-propyn-1-ol (CAS# 29805-12-7 ) is a useful research chemical.
Molecular Weight:	166.60
Molecular Formula:	C9H7ClO
Canonical SMILES:	C#CC(C1=CC(=CC=C1)Cl)O
InChI:	InChI=1S/C9H7ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h1,3-6,9,11H
InChI Key:	BNPLJHLZNBBYAX-UHFFFAOYSA-N
LogP:	2.00660

Publication Number	Title	Priority Date
JP-2006248915-A	Optically active sulfur-bridged dinuclear ruthenium complex, method for producing the same, method for producing optically active compound using such a catalyst, and novel optically active compound	20050308
JP-4853757-B2	Optically active sulfur-bridged dinuclear ruthenium complex, method for producing the same, method for producing optically active compound using such a catalyst, and novel optically active compound	20050308
JP-2002265435-A	Novel optically active ruthenium complex, method for producing the same, and method for producing optically active compound using the same	20010313
JP-4918736-B2	Novel optically active ruthenium complex, process for producing the same, and process for producing optically active compounds using the same	20010313
US-2002119994-A1	LFA-1 Antagonist compounds	20001128

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Complexity:	170
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