2-Ethynylanisole - CAS 767-91-9

Catalog:	BB035701
Product Name:	2-Ethynylanisole
CAS:	767-91-9
Synonyms:	1-ethynyl-2-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-ethynyl-2-methoxybenzene
Description:	2-Ethynylanisole (CAS# 767-91-9) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	COC1=CC=CC=C1C#C
InChI:	InChI=1S/C9H8O/c1-3-8-6-4-5-7-9(8)10-2/h1,4-7H,2H3
InChI Key:	UFOVULIWACVAAC-UHFFFAOYSA-N
Boiling Point:	197 °C (lit.)
Purity:	98 %
Density:	1.022 g/mL at 25 °C (lit.)
MDL:	MFCD03839989
LogP:	1.67650

Publication Number	Title	Priority Date
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6