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Basic Information
CAS No.: 62550-65-6
Name: Ethyl 3-(Naphthalen-7-Yl)-3-Oxopropanoate
Article Data: 53
Molecular Structure:
Molecular Structure of 62550-65-6 (Ethyl 3-(Naphthalen-7-Yl)-3-Oxopropanoate)
Formula: C15H14O3
Molecular Weight: 242.274
Synonyms: Ethyl 3-(2-naphthyl)-3-oxopropanoate;
Density: 1.164 g/cm3
Boiling Point: 370 °C at 760 mmHg
Flash Point: 163.5 °C
PSA: 43.37000
LogP: 2.97570
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Specification

The 2-Naphthalenepropanoicacid, b-oxo-, ethyl ester, with the CAS registry number of 62550-65-6, is also known as Ethyl 3-(2-naphthyl)-3-oxopropanoate. Its molecular formula is C15H14O3 and molecular weight is 242.26986. What's more, its systematic name is Ethyl 3-naphthalen-2-yl-3-oxopropanoate.

Physical properties about the 2-Naphthalenepropanoicacid, b-oxo-, ethyl ester are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.1; (4)ACD/LogD (pH 7.4): 3.1; (5)ACD/BCF (pH 5.5): 133.92; (6)ACD/BCF (pH 7.4): 133.32; (7)ACD/KOC (pH 5.5): 1158.79; (8)ACD/KOC (pH 7.4): 1153.61; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 69.79 cm3; (15)Molar Volume: 208 cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Density: 1.164 g/cm3; (18)Flash Point: 163.5 °C; (19)Enthalpy of Vaporization: 61.69 kJ/mol; (20)Boiling Point: 370 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)CC(=O)c2ccc1c(cccc1)c2
(2) InChI: InChI=1/C15H14O3/c1-2-18-15(17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3
(3) InChIKey: CMOYIKGRDXXXNU-UHFFFAOYAV