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152305-87-8

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Basic Information
CAS No.: 152305-87-8
Name: 3-Sulfosuccinimid-1-yl acetate
Molecular Structure:
Molecular Structure of 152305-87-8 (3-Sulfosuccinimid-1-yl acetate)
Formula: C6H7NO7S
Molecular Weight: 237.19
Synonyms: 3-Sulfosuccinimid-1-yl acetate;1-Acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid;1-Acetoxy-2,5-dioxopyrrolidine-3-sulfonic acid;N-SulfosucciniMidyl acetate
Density: 1.8 g/cm3
PSA: 126.43000
LogP: -0.50150
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Specification

This chemical is called 1-Acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid, and it can also be named as 3-Pyrrolidinesulfonic acid, 1-(acetyloxy)-2,5-dioxo-. With the molecular formula of C6H7NO7S, its molecular weight is 237.19. The CAS registry number of this chemical is 152305-87-8.

Other characteristics of the 1-Acetyloxy-2,5-dioxopyrrolidine-3-sulfonic acid can be summarised as followings: (1)ACD/LogP: -3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7.37; (4)ACD/LogD (pH 7.4): -7.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 115.43 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 44.08 cm3; (15)Molar Volume: 131.7 cm3; (16)Polarizability: 17.47×10-24cm3; (17)Surface Tension: 82.8 dyne/cm; (18)Density: 1.8 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1N(OC(=O)C)C(=O)CC1S(=O)(=O)O
2.InChI: InChI=1/C6H7NO7S/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13/h4H,2H2,1H3,(H,11,12,13)
3.InChIKey: MDUQWFYJHRLNRN-UHFFFAOYAG
4.Std. InChI: InChI=1S/C6H7NO7S/c1-3(8)14-7-5(9)2-4(6(7)10)15(11,12)13/h4H,2H2,1H3,(H,11,12,13)
5.Std. InChIKey: MDUQWFYJHRLNRN-UHFFFAOYSA-N