CAS No.196597-79-2,Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)-, (2E)- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	196597-79-2
Name:	Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)-, (2E)-
Article Data:	12

Formula:	C₁₃H₁₁NO
Molecular Weight:	197.236
Synonyms:	Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)-, (2E)- (9CI);(E)-2-(1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)acetonitrile;Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)-, (E)-;
Density:	1.321 g/cm³
Melting Point:	146-151℃
Boiling Point:	392.132 °C at 760 mmHg
Flash Point:	164.971 °C
PSA:	33.02000
LogP:	2.47468

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Specification

The (E)-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ylidene)acetonitrile, with the CAS registry number 196597-79-2, is also known as Acetonitrile, (1,2,6,7-tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)-, (E)-. This chemical's molecular formula is C₁₃H₁₁NO and molecular weight is 197.23. What's more, its systematic name is (E)-2-(1,2,6,7-Tetrahydro-8H-indeno[5,4-b]furan-8-ylidene)acetonitrile.

Physical properties of (E)-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-ylidene)acetonitrile are: (1)ACD/LogP: 2.761; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 73.87; (6)ACD/BCF (pH 7.4): 73.87; (7)ACD/KOC (pH 5.5): 756.90; (8)ACD/KOC (pH 7.4): 756.90; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 58.39 cm³; (15)Molar Volume: 149.253 cm³; (16)Polarizability: 23.148×10^-24cm³; (17)Surface Tension: 71.1 dyne/cm; (18)Density: 1.321 g/cm³; (19)Flash Point: 164.971 °C; (20)Enthalpy of Vaporization: 64.184 kJ/mol; (21)Boiling Point: 392.132 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#C\C=C3\c2c(ccc1OCCc12)CC3
(2)Std. InChI: InChI=1S/C13H11NO/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12/h3-5H,1-2,6,8H2/b10-5+
(3)Std. InChIKey: TUFWVKLKUFXARX-BJMVGYQFSA-N