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2308-54-5

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Basic Information
CAS No.: 2308-54-5
Name: Sulfuric acid, anhydride with acetic acid
Article Data: 23
Molecular Structure:
Molecular Structure of 2308-54-5 (Sulfuric acid, anhydride with acetic acid)
Formula: C2H4O5S
Molecular Weight: 140.117
Synonyms: Aceticacid, anhydride with H2SO4 (6CI,7CI);Acetic acid, monoanhydride with sulfuricacid (8CI,9CI);Sulfuric acid, monoanhydride with acetic acid (8CI);Acetosulfuric acid;Acetyl sulfate;Acetyl sulfonic acid;
Density: 1.677 g/cm3
PSA: 89.05000
LogP: 0.43310
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Specification

The Acetylsulfuric acid, with the CAS registry number 2308-54-5, is also known as Sulfuric acid, monoanhydride with acetic acid. This chemical's molecular formula is C2H4O5S and molecular weight is 140.12. What's more, its systematic name is Acetyl hydrogen sulfate.

Physical properties of Acetylsulfuric acid are: (1)ACD/LogP: -0.835; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.34; (4)ACD/LogD (pH 7.4): -4.34; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 89.05 Å2; (13)Index of Refraction: 1.475; (14)Molar Refractivity: 23.509 cm3; (15)Molar Volume: 83.57 cm3; (16)Polarizability: 9.319×10-24cm3; (17)Surface Tension: 64.0 dyne/cm; (18)Density: 1.677 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OS(=O)(=O)O)C
(2)Std. InChI: InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6)
(3)Std. InChIKey: HZWXJJCSDBQVLF-UHFFFAOYSA-N