1-Phenyl-1-pentyn-3-ol - CAS 27975-78-6

Catalog:	BB019724
Product Name:	1-Phenyl-1-pentyn-3-ol
CAS:	27975-78-6
Synonyms:	1-phenylpent-1-yn-3-ol

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Computed Properties

IUPAC Name:	1-phenylpent-1-yn-3-ol
Description:	1-Phenyl-1-pentyn-3-ol (CAS# 27975-78-6 ) is a useful research chemical.
Molecular Weight:	160.21
Molecular Formula:	C11H12O
Canonical SMILES:	CCC(C#CC1=CC=CC=C1)O
InChI:	InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3
InChI Key:	QWCMSASONHVIHV-UHFFFAOYSA-N
Boiling Point:	266.909 °C at 760 mmHg
Density:	1.336 g/mL at 25 °C
MDL:	MFCD00041589
LogP:	1.80900

Publication Number	Title	Priority Date
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
AU-2019338793-A1	Novel heteroaromatic amide derivative and medicament containing the same	20180910
JP-2015168650-A	Method for producing trifluoromethyl group-substituted vinyl ether	20140307
JP-6156202-B2	Method for producing trifluoromethyl group-substituted vinyl ether	20140307
EP-2943722-A1	Protective coating for led lamp	20130110

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.088815002
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.088815002
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4