1-Naphthalenepropanoicacid, b-oxo-, ethyl ester supplier

Name
3-NAPHTHALEN-1-YL-3-OXO-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 62071-76-5
Article Data21
CAS DataBase
Density 1.164 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O₃
Boiling Point 370 °C at 760 mmHg
Molecular Weight 242.274
Flash Point 163.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Naphthalen-1-yl-3-oxo-propionic acid ethyl ester;
PSA 43.37000
LogP 2.97570

1-Naphthalenepropanoicacid, b-oxo-, ethyl ester Specification

The 1-Naphthalenepropanoicacid, b-oxo-, ethyl ester, with the CAS registry number 62071-76-5, is also known as 3-Naphthalen-1-yl-3-oxo-propionic acid ethyl ester. This chemical's molecular formula is C₁₅H₁₄O₃ and molecular weight is 242.2699. What's more, its systematic name is called Ethyl 3-naphthalen-1-yl-3-oxopropanoate.

Physical properties about 1-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): 133.12; (7)ACD/KOC (pH 5.5): 1158.77; (8)ACD/KOC (pH 7.4): 1151.87; (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)Polarizability: 27.66×10^-24 cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.164 g/cm³; (19)Flash Point: 163.5 °C; (20)Enthalpy of Vaporization: 61.69 kJ/mol; (21)Boiling Point: 370 °C at 760 mmHg; (22)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)c2cccc1ccccc12
(2) InChI: InChI=1/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3
(3) InChIKey: JFWSFANXHXCJOY-UHFFFAOYAH

Product Name

3-NAPHTHALEN-1-YL-3-OXO-PROPIONIC ACID ETHYL ESTER

1-Naphthalenepropanoicacid, b-oxo-, ethyl ester Specification

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