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58070-27-2

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Basic Information
CAS No.: 58070-27-2
Name: 4,4,4-TRIMETHOXY-1-BUTENE
Molecular Structure:
Molecular Structure of 58070-27-2 (4,4,4-TRIMETHOXY-1-BUTENE)
Formula: C7H14O3
Molecular Weight: 146.186
Synonyms: 4,4,4-Trimethoxy-1-butene;4,4,4-Trimethoxybut-1-ene;
Density: 0.923 g/cm3
Boiling Point: 141.6 °C at 760 mmHg
Flash Point: 42 °C
PSA: 27.69000
LogP: 1.15550
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Specification

The 1-Butene,4,4,4-trimethoxy-, with the CAS registry number 58070-27-2, is also known as 4,4,4-Trimethoxy-1-butene. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C7H14O3 and molecular weight is 146.18. What's more, its IUPAC name is 4,4,4-Trimethoxybut-1-ene.

Physical properties of 1-Butene,4,4,4-trimethoxy- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 27.69 Å2; (9)Index of Refraction: 1.412; (10)Molar Refractivity: 39.4 cm3; (11)Molar Volume: 158.3 cm3; (12)Polarizability: 15.62×10-24 cm3; (13)Surface Tension: 24.9 dyne/cm; (14)Density: 0.923 g/cm3; (15)Flash Point: 42 °C; (16)Enthalpy of Vaporization: 36.32 kJ/mol; (17)Boiling Point: 141.6 °C at 760 mmHg; (18)Vapour Pressure: 7.27 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(CC=C)(OC)OC
(2)InChI: InChI=1S/C7H14O3/c1-5-6-7(8-2,9-3)10-4/h5H,1,6H2,2-4H3
(3)InChIKey: DJMXIXXFIFAPEC-UHFFFAOYSA-N