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3888-44-6

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Basic Information
CAS No.: 3888-44-6
Name: CHROMOTROPIC ACID SODIUM SALT
Molecular Structure:
Molecular Structure of 3888-44-6 (CHROMOTROPIC ACID SODIUM SALT)
Formula:  C10H8 O8 S2 . Na
Molecular Weight: 342.28
Synonyms: 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-, monosodium salt (8CI,9CI);
EINECS: 223-430-2
Density: 1.929g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Appearance: light grey to brown powder
Safety: 24/25
PSA: 168.79000
LogP: 2.56340
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Specification

The 2,7-Naphthalenedisulfonicacid, 4,5-dihydroxy-, sodium salt (1:1), with its cas registry number 3888-44-6, has its systematic name of sodium 4,5-dihydroxynaphthalene-2,7-disulfonate. This is a kind of light grey to brown powder, and it belongs to the product categories which are the intermediates of dyes and pigments. While using this chemical, avoid contacting with skin and eyes.

The characteristics of this chemical are as below: (1)#H bond acceptors: 8; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 171.62; (5)Rotatable Bond Count: 2; (6)Tautomer Count: 19; (7)Exact Mass: 341.948003; (8)MonoIsotopic Mass: 341.948003; (9)Topological Polar Surface Area: 169; (10)Heavy Atom Count: 21; (11)Covalently-Bonded Unit Count: 2.

Additionally, you could convert the following datas into the molecular structure:
(1)SMILES:[Na+].[O-]S(=O)(=O)c1cc(O)c2c(c1)cc(cc2O)S([O-])(=O)=O
(2)InChI:InChI=1/C10H8O8S2.Na/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-2
(3)InChIKey:UPYOFRGSTDARPV-NUQVWONBAR