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Name	Ethyl 2-oxothiane-3-carboxylate	EINECS	N/A
CAS No.	4547-45-9	Density	N/A
PSA	68.67000	LogP	1.21930
Solubility	N/A	Melting Point	N/A
Formula	C8H12 O3 S	Boiling Point	N/A
Molecular Weight	188.247	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Malonicacid, (3-mercaptopropyl)-, d-(thiolactone), ethyl ester (7CI,8CI); Thiopyran-3-carboxylic acid,tetrahydro-2-oxo-, ethyl ester

Ethyl 2-oxothiane-3-carboxylate Chemical Properties

Molecular Structure of Ethyl 2-oxothiane-3-carboxylate (CAS No.4547-45-9):

Molecular Formula: C₈H₁₂O₃S
Molecular Weight: 188.24
CAS No: 4547-45-9
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 68.67 Å²
Index of Refraction: 1.511
Molar Refractivity: 46.93 cm³
Molar Volume: 156.5 cm³
Surface Tension: 43.4 dyne/cm
Density: 1.202 g/cm³
Flash Point: 142.9 °C
Enthalpy of Vaporization: 54.01 kJ/mol
Boiling Point: 300 °C at 760 mmHg
Vapour Pressure: 0.00115 mmHg at 25°C
Systematic Name: Ethyl 2-oxotetrahydro-2H-thiopyran-3-carboxylate
InChI: InChI=1/C₈H₁₂O₃S/c1-2-11-7(9)6-4-3-5-12-8(6)10/h6H,2-5H2,1H3
InChIKey: UBWCQIQHISJCTF-UHFFFAOYAO
Std. InChI: InChI=1S/C₈H₁₂O₃S/c1-2-11-7(9)6-4-3-5-12-8(6)10/h6H,2-5H2,1H3
Std. InChIKey: UBWCQIQHISJCTF-UHFFFAOYSA-N
Product Categories: Heterocycles series

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