CAS No.10602-03-6,Ethyl 4-Ethynylbenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10602-03-6
Name:	Ethyl 4-Ethynylbenzoate
Article Data:	31

Formula:	C₁₁H₁₀O₂
Molecular Weight:	174.199
Synonyms:	Ethyl 4-ethynylbenzoate;
Density:	1.088 g/cm³
Melting Point:	28 °C
Boiling Point:	257.092 °C at 760 mmHg
Flash Point:	100.987 °C
PSA:	26.30000
LogP:	1.84460

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Specification

The CAS registry number of Benzoic acid, 4-ethynyl-, ethyl ester is 10602-03-6. This chemical's molecular formula is C₁₁H₁₀O₂ and molecular weight is 174.1959. What's more, its systematic name is called Ethyl 4-ethynylbenzoate.

Physical properties about Benzoic acid, 4-ethynyl-, ethyl ester are: (1)ACD/LogP: 3.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 96; (6)ACD/BCF (pH 7.4): 96; (7)ACD/KOC (pH 5.5): 911; (8)ACD/KOC (pH 7.4): 911; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 49.557 cm³; (15)Molar Volume: 160.161 cm³; (16)Polarizability: 19.646×10^-24 cm³; (17)Surface Tension: 41.735 dyne/cm; (18)Density: 1.088 g/cm³; (19)Flash Point: 100.987 °C; (20)Enthalpy of Vaporization: 49.463 kJ/mol; (21)Boiling Point: 257.092 °C at 760 mmHg; (22)Vapour Pressure: 0.015 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C#Cc1ccc(cc1)C(=O)OCC
(2) InChI: InChI=1/C11H10O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h1,5-8H,4H2,2H3
(3) InChIKey: CKAGLAFXBLZHAS-UHFFFAOYAS