CAS No.630399-84-7,4-CYCLOPROPYL-3-OXO-BUTYRIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	630399-84-7
Name:	4-CYCLOPROPYL-3-OXO-BUTYRIC ACID ETHYL ESTER

Formula:	C₉H₁₄O₃
Molecular Weight:	170.208
Synonyms:	4-Cyclopropyl-3-oxobutanoicacid ethyl ester;Ethyl 4-cyclopropyl-3-oxo-butanoate;Ethyl4-cyclopropyl-3-oxobutyrate;
Density:	1.081 g/cm³
Boiling Point:	232 °C at 760 mmHg
Flash Point:	94.3 °C
PSA:	43.37000
LogP:	1.30880

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Specification

The CAS register number of Cyclopropanebutanoicacid, b-oxo-, ethyl ester is 630399-84-7. It also can be called as 4-Cyclopropyl-3-oxobutanoicacid ethyl ester and the systematic name about this chemical is ethyl 4-cyclopropyl-3-oxobutanoate. The molecular formula about this chemical is C₉H₁₄O₃ and the molecular weight is 170.21.

Physical properties about Cyclopropanebutanoicacid, b-oxo-, ethyl ester are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.93; (5)ACD/BCF (pH 7.4): 9.92; (6)ACD/KOC (pH 5.5): 179.93; (7)ACD/KOC (pH 7.4): 179.83; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 43.37 Å²; (11)Index of Refraction: 1.464; (12)Molar Refractivity: 43.49 cm³; (13)Molar Volume: 157.4 cm³; (14)Polarizability: 17.24x10^-24cm³; (15)Surface Tension: 38.8 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 94.3 °C; (18)Enthalpy of Vaporization: 46.87 kJ/mol; (19)Boiling Point: 232 °C at 760 mmHg; (20)Vapour Pressure: 0.0603 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC(=O)CC1CC1)OCC
(2)InChI: InChI=1/C9H14O3/c1-2-12-9(11)6-8(10)5-7-3-4-7/h7H,2-6H2,1H3
(3)InChIKey: CIAYBTYUFUUVDE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H14O3/c1-2-12-9(11)6-8(10)5-7-3-4-7/h7H,2-6H2,1H3
(5)Std. InChIKey: CIAYBTYUFUUVDE-UHFFFAOYSA-N