CAS No.70122-89-3,ALLYL TERT-BUTYL CARBONATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70122-89-3
Name:	ALLYL TERT-BUTYL CARBONATE
Article Data:	26

Formula:	C₈H₁₄O₃
Molecular Weight:	158.197
Synonyms:	Carbonicacid, 1,1-dimethylethyl 2-propenyl ester (9CI);Allyl tert-butyl carbonate;tert-Butyl prop-2-en-1-yl carbonate;
Density:	0.955 g/cm³
Boiling Point:	168 °C at 760 mmHg
Flash Point:	60 °C
PSA:	35.53000
LogP:	2.12410

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Specification

The Carbonic acid,1,1-dimethylethyl 2-propen-1-yl ester, with the CAS registry number 70122-89-3, is also known as Allyl tert-butyl carbonate. This chemical's molecular formula is C₈H₁₄O₃ and molecular weight is 158.19. What's more, its systematic name is tert-Butyl prop-2-en-1-yl carbonate.

Physical properties of Carbonic acid,1,1-dimethylethyl 2-propen-1-yl ester are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.83; (6)ACD/BCF (pH 7.4): 27.83; (7)ACD/KOC (pH 5.5): 376.32; (8)ACD/KOC (pH 7.4): 376.32; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 42.32 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 16.77×10^-24cm³; (17)Surface Tension: 27.4 dyne/cm; (18)Density: 0.955 g/cm³; (19)Flash Point: 60 °C; (20)Enthalpy of Vaporization: 40.44 kJ/mol; (21)Boiling Point: 168 °C at 760 mmHg; (22)Vapour Pressure: 1.65 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC\C=C)OC(C)(C)C
(2)InChI: InChI=1/C8H14O3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3
(3)InChIKey: SWQDRYKDDGFPLL-UHFFFAOYSA-N