CAS No.768-70-7,3-ETHYNYLANISOLE 96 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	768-70-7
Name:	3-ETHYNYLANISOLE 96
Article Data:	32

Formula:	C₉H₈O
Molecular Weight:	132.162
Synonyms:	Anisole,m-ethynyl- (6CI,7CI,8CI);1-Ethynyl-3-methoxybenzene;1-Methoxy-3-ethynylbenzene;3-Ethynylanisole;3-Methoxyphenylacetylene;3-Methoxyphenylethyne;m-Anisylacetylene;m-Ethynylanisole;m-Methoxyphenylacetylene;m-Methoxyphenylethyne;
Density:	1.01 g/cm³
Boiling Point:	204.4 °C at 760 mmHg
Flash Point:	69.6 °C
Solubility:	Slightly soluble in water.
Risk Codes:	10
Safety:	3/9/49-15-36/37/39-43
PSA:	9.23000
LogP:	1.67650

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Specification

The 3-Ethynylanisole with the cas number 768-70-7 is also called Benzene,1-ethynyl-3-methoxy-. Both the systematic name and IUPAC name are 1-ethynyl-3-methoxybenzene. Its molecular formula is C₉H₈O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.86; (6)ACD/BCF (pH 7.4): 33.86; (7)ACD/KOC (pH 5.5): 433.07; (8)ACD/KOC (pH 7.4): 433.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 40.17 cm³; (15)Molar Volume: 130 cm³; (16)Polarizability: 15.92×10^-24cm³; (17)Surface Tension: 37.4 dyne/cm; (18)Enthalpy of Vaporization: 42.26 kJ/mol; (19)Vapour Pressure: 0.377 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#C)c1cc(OC)ccc1
(2)InChI: InChI=1/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
(3)InChIKey: ZASXCTCNZKFDTP-UHFFFAOYAS