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CAS No.: | 7497-88-3 |
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Name: | 2-methylphenyl propanoate |
Molecular Structure: | |
Formula: | C10H12O2 |
Molecular Weight: | 164.204 |
Synonyms: | Propanoic acid, 2-methylphenyl ester;2-methylphenyl propanoate; |
Density: | 1.027 g/cm3 |
Boiling Point: | 226.9 °C at 760 mmHg |
Flash Point: | 89.3 °C |
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The (2-Methylphenyl) propanoate, with the CAS registry number 7497-88-3, is also known as Propanoic acid, 2-methylphenyl ester. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2. What's more, its systematic name is 2-methylphenyl propanoate.
Physical properties of (2-Methylphenyl) propanoate are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.5; (8)Molar Refractivity: 47.05 cm3; (9)Molar Volume: 159.8 cm3; (10)Polarizability: 18.65×10-24 cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 1.027 g/cm3; (13)Flash Point: 89.3 °C; (14)Enthalpy of Vaporization: 46.34 kJ/mol; (15)Boiling Point: 226.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0799 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(Oc1ccccc1C)CC
(2)InChI: InChI=1/C10H12O2/c1-3-10(11)12-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
(3)InChIKey: XLLPLDFNCXWUOT-UHFFFAOYAV