CAS No.13250-82-3,3-Thiophenecarboxaldehyde ethylene acetal Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13250-82-3
Name:	3-Thiophenecarboxaldehyde ethylene acetal
Article Data:	16

Formula:	C₇H₈O₂S
Molecular Weight:	156.205
Synonyms:	2-(3-Thienyl)-1,3-dioxolane;2-(Thiophen-3-yl)-1,3-dioxolane;2-Thiophene-3-yl-[1,3]dioxolane;3-(1,3-Dioxolan-2-yl)thiophene;3-Thiophenecarboxaldehyde ethylene acetal;NSC241128;
Density:	1.254 g/cm³
Boiling Point:	245.3 °C at 760 mmHg
Flash Point:	102.2 °C
PSA:	46.70000
LogP:	1.79350

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Specification

The 1,3-Dioxolane,2-(3-thienyl)-, with CAS registry number 13250-82-3, has the systematic name of 2-(thiophen-3-yl)-1,3-dioxolane. Besides this, it is also called 3-Thiophenecarboxaldehyde ethylene acetal. And the chemical formula of this chemical is C₇H₈O₂S.

Physical properties of 1,3-Dioxolane,2-(3-thienyl)-: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.7 Å²; (7)Index of Refraction: 1.553; (8)Molar Refractivity: 39.87 cm³; (9)Molar Volume: 124.4 cm³; (10)Polarizability: 15.8×10^-24cm³; (11)Surface Tension: 47 dyne/cm; (12)Density: 1.254 g/cm³; (13)Flash Point: 102.2 °C; (14)Enthalpy of Vaporization: 46.29 kJ/mol; (15)Boiling Point: 245.3 °C at 760 mmHg; (16)Vapour Pressure: 0.0453 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1CCOC1c2ccsc2
(2)InChI: InChI=1/C7H8O2S/c1-4-10-5-6(1)7-8-2-3-9-7/h1,4-5,7H,2-3H2
(3)InChIKey: VOJKCZSSUHBMKS-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H8O2S/c1-4-10-5-6(1)7-8-2-3-9-7/h1,4-5,7H,2-3H2
(5)Std. InChIKey: VOJKCZSSUHBMKS-UHFFFAOYSA-N