(S)-1-Phenyl-2-propyn-1-ol - CAS 64599-56-0

Catalog:	BB032512
Product Name:	(S)-1-Phenyl-2-propyn-1-ol
CAS:	64599-56-0
Synonyms:	(1S)-1-phenyl-2-propyn-1-ol; (1S)-1-phenylprop-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	(1S)-1-phenylprop-2-yn-1-ol
Description:	(S)-1-Phenyl-2-propyn-1-ol (CAS# 64599-56-0) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	C#CC(C1=CC=CC=C1)O
InChI:	InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H/t9-/m0/s1
InChI Key:	UIGLAZDLBZDVBL-VIFPVBQESA-N
Boiling Point:	210.9 °C at 760 mmHg
Density:	1.067 g/mL at 20°C(lit.)
MDL:	MFCD00210084
LogP:	1.35320

Publication Number	Title	Priority Date
US-2018117216-A1	Materials with improved properties	20151101
US-2019046690-A9	Materials with improved properties	20151101
US-2016185812-A1	Process for synthesizing highly optically active 1,3-disubstituted allenes	20140806
US-9873713-B2	Process for synthesizing highly optically active 1,3-disubstituted allenes	20140806
CA-2690229-A1	Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders	20070629

PMID	Publication Date	Title	Journal
23075085	20121102	Enantioselective synthesis of the ent-lomaiviticin A bicyclic core	Organic letters

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

Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3