Benzeneacetic acid,2-ethynyl-, methyl ester supplier

Name
Methyl2-(2-ethynylphenyl)acetate
EINECS
CAS No. 637348-19-7
Article Data11
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₀O₂
Boiling Point 259 °C at 760 mmHg
Molecular Weight 174.199
Flash Point 101.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl (2-ethynylphenyl)acetate;benzeneacetic acid, 2-ethynyl-, methyl ester;(2-Ethynylphenyl)acetic acid methyl ester;
PSA 26.30000
LogP 1.38340

Benzeneacetic acid,2-ethynyl-, methyl ester Specification

The Benzeneacetic acid,2-ethynyl-, methyl ester, with the CAS registry number 637348-19-7, has the systematic name of Methyl (2-ethynylphenyl)acetate. It is also called (2-Ethynylphenyl)acetic acid methyl ester. And the molecular formula of this chemical is C₁₁H₁₀O₂.

The physical properties of Benzeneacetic acid,2-ethynyl-, methyl ester are as following: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.25; (6)ACD/BCF (pH 7.4): 25.25; (7)ACD/KOC (pH 5.5): 351.02; (8)ACD/KOC (pH 7.4): 351.02; (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: 49.55 cm³; (15)Molar Volume: 160.1 cm³; (16)Polarizability: 19.64×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.08 g/cm³; (19)Flash Point: 101.9 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 259 °C at 760 mmHg; (22)Vapour Pressure: 0.0133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)Cc1ccccc1C#C
(2)InChI: InChI=1/C11H10O2/c1-3-9-6-4-5-7-10(9)8-11(12)13-2/h1,4-7H,8H2,2H3
(3)InChIKey: QSWROZWGTVXDSO-UHFFFAOYAN

Product Name

Methyl2-(2-ethynylphenyl)acetate

Benzeneacetic acid,2-ethynyl-, methyl ester Specification

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