Ethyl 3-oxocyclobutanecarboxylate supplier

Name
ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE
EINECS
CAS No. 87121-89-9
Article Data20
CAS DataBase
Density 1.169 g/cm³
Solubility
Melting Point
Formula C₇H₁₀O₃
Boiling Point 206.9 °C at 760 mmHg
Molecular Weight 142.155
Flash Point 82.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Oxo-cyclobutanecarboxylic acid ethyl ester
PSA 35.53000
LogP 0.19590

Ethyl 3-oxocyclobutanecarboxylate Specification

The Ethyl 3-oxocyclobutanecarboxylate, with CAS registry number 87121-89-9, has the systematic name of ethyl 3-oxocyclobutanecarboxylate. Besides this, it is also called cyclobutanecarboxylic acid, 3-oxo-, ethyl ester. And the chemical formula of this chemical is C₇H₁₀O₃.

Physical properties of Ethyl 3-oxocyclobutanecarboxylate: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 22.79; (5)ACD/KOC (pH 7.4): 22.79; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 43.37 Å²; (10)Index of Refraction: 1.473; (11)Molar Refractivity: 34.16 cm³; (12)Molar Volume: 121.5 cm³; (13)Polarizability: 13.54×10^-24cm³; (14)Surface Tension: 41.9 dyne/cm; (15)Density: 1.169 g/cm³; (16)Flash Point: 82.3 °C; (17)Enthalpy of Vaporization: 44.32 kJ/mol; (18)Boiling Point: 206.9 °C at 760 mmHg; (19)Vapour Pressure: 0.231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C1CC(=O)C1
(2)InChI: InChI=1/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
(3)InChIKey: BXBRFSMPBOTZHJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
(5)Std. InChIKey: BXBRFSMPBOTZHJ-UHFFFAOYSA-N

Product Name

ETHYL 3-OXO CYCLOBUATNE CARBOXYLATE

Ethyl 3-oxocyclobutanecarboxylate Specification

Related Products

Hot Products