The Molecular Structure of 4,6-Dihydroxynaphthalene-2-sulphonic acid (CAS NO.6357-93-3) is
Cas Register Number: 6357-93-3
IUPAC Name: 4,6-Dihydroxynaphthalene-2-sulfonic acid
Synonyms: 2-Naphthalenesulfonic acid, 4,6-dihydroxy- ; 4,6-Dihydroxynaphthalene-2-sulfonic acid ; 4,6-Dihydroxynaphthalene-2-sulphonic acid
Molecular Formula: C10H8O5S
Molecular Weight: 240.232520 g/mol
Product Categories: Aromatics
H bond acceptors: 5
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 70.21Å2
Index of Refraction: 1.739
Molar Refractivity: 57.71 cm3
Molar Volume: 143.1 cm3
Surface Tension: 85.6 dyne/cm
Density: 1.677 g/cm3
SMILES: O=S(=O)(O)c1cc(O)c2c(c1)ccc(O)c2
InChI: InChI=1/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)
InChIKey: FBYMBFPXCCVIRA-UHFFFAOYAX
Std. InChI: InChI=1S/C10H8O5S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,11-12H,(H,13,14,15)
Std. InChIKey: FBYMBFPXCCVIRA-UHFFFAOYSA-N
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