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85720-96-3

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Basic Information
CAS No.: 85720-96-3
Name: naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulphonic acid
Molecular Structure:
Molecular Structure of 85720-96-3 (naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulphonic acid)
Formula: C10H6N2O7S2
Molecular Weight: 330.29
Synonyms: Naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulfonicacid (9CI);Benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid;
EINECS: 288-405-0
Density: 1.915 g/cm3
PSA: 164.42000
LogP: 3.03100
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Specification

The Naphtho[2,1-d]-1,2,3-oxadiazole-5,9-disulfonic acid, with the CAS registry number 85720-96-3, is also known as Naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulfonicacid (9CI). Its EINECS number is 288-405-0. This chemical's molecular formula is C10H6N2O7S2 and molecular weight is 330.29. What's more, its systematic name is benzo[g][1,2,3]benzoxadiazole-5,9-disulfonic acid.

Physical properties of Naphtho[2,1-d]-1,2,3-oxadiazole-5,9-disulfonic acid are: (1)#H bond acceptors: 9; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 164.42 Å2; (5)Index of Refraction: 1.755; (6)Molar Refractivity: 70.64 cm3; (7)Molar Volume: 172.4 cm3; (8)Polarizability: 28×10-24cm3; (9)Surface Tension: 104.4 dyne/cm; (10)Density: 1.915 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: OS(=O)(=O)c2cc3nnoc3c1c(cccc12)S(O)(=O)=O
(2)InChI: InChI=1S/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)
(3)InChIKey: LECKNZAHKTZQKV-UHFFFAOYSA-N