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637348-19-7

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Basic Information
CAS No.: 637348-19-7
Name: Methyl2-(2-ethynylphenyl)acetate
Article Data: 11
Molecular Structure:
Molecular Structure of 637348-19-7 (Methyl2-(2-ethynylphenyl)acetate)
Formula: C11H10O2
Molecular Weight: 174.199
Synonyms: Methyl (2-ethynylphenyl)acetate;benzeneacetic acid, 2-ethynyl-, methyl ester;(2-Ethynylphenyl)acetic acid methyl ester;
Density: 1.08 g/cm3
Boiling Point: 259 °C at 760 mmHg
Flash Point: 101.9 °C
PSA: 26.30000
LogP: 1.38340
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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