CAS No.42482-06-4,2-Octen-1-ylsuccinic anhydride, mixture of cis and trans Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42482-06-4
Name:	2-Octen-1-ylsuccinic anhydride, mixture of cis and trans

Formula:	C₁₂H₁₈O₃
Molecular Weight:	210.27
Synonyms:	2,5-Furandione,dihydro-3-(2-octenyl)- (9CI);(2-Octen-1-yl)succinic anhydride;2-Octenylsuccinic anhydride;3-(Oct-2-enyl)dihydrofuran-2,5-dione;2,5-Furandione, dihydro-3-(2-octenyl)-;
EINECS:	247-899-8
Density:	1.036 g/cm³
Boiling Point:	330.345 °C at 760 mmHg
Flash Point:	148.474 °C
PSA:	43.37000
LogP:	2.60270

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Specification

The 3-(2-Octen-1-yl)dihydro-2,5-furandione, with the CAS registry number 42482-06-4, is also known as 2,5-Furandione, dihydro-3-(2-octenyl)-. This chemical's molecular formula is C₁₂H₁₈O₃ and molecular weight is 210.27. What's more, its systematic name is 3-(2-Octen-1-yl)dihydro-2,5-furandione.

Physical properties of 3-(2-Octen-1-yl)dihydro-2,5-furandione are: (1)ACD/LogP: 2.538; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.97; (6)ACD/BCF (pH 7.4): 49.97; (7)ACD/KOC (pH 5.5): 572.17; (8)ACD/KOC (pH 7.4): 572.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 57.495 cm³; (15)Molar Volume: 202.981 cm³; (16)Polarizability: 22.793×10^-24cm³; (17)Surface Tension: 36.0 dyne/cm; (18)Density: 1.036 g/cm³; (19)Flash Point: 148.474 °C; (20)Enthalpy of Vaporization: 57.291 kJ/mol; (21)Boiling Point: 330.345 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OC(=O)CC1CC=CCCCCC
(2)Std. InChI: InChI=1S/C12H18O3/c1-2-3-4-5-6-7-8-10-9-11(13)15-12(10)14/h6-7,10H,2-5,8-9H2,1H3
(3)Std. InChIKey: WSGFXVFLWVXTCJ-UHFFFAOYSA-N