2-Phenyl-3-butyn-2-ol - CAS 127-66-2

Catalog:	BB006820
Product Name:	2-Phenyl-3-butyn-2-ol
CAS:	127-66-2
Synonyms:	2-phenylbut-3-yn-2-ol

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Computed Properties

IUPAC Name:	2-phenylbut-3-yn-2-ol
Description:	2-Phenyl-3-butyn-2-ol (CAS# 127-66-2 ) is a useful research chemical.
Molecular Weight:	146.19
Molecular Formula:	C10H10O
Canonical SMILES:	CC(C#C)(C1=CC=CC=C1)O
InChI:	InChI=1S/C10H10O/c1-3-10(2,11)9-7-5-4-6-8-9/h1,4-8,11H,2H3
InChI Key:	KSLSOBUAIFEGLT-UHFFFAOYSA-N
Boiling Point:	102-103 °C (12 torr)
Melting Point:	46-51 °C
Purity:	95 %
Density:	1.064 g/cm³
Appearance:	White to light yellow powder or crystals
Storage:	2-8 °C
MDL:	MFCD00004454
LogP:	1.52730

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.073164938
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5