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5,7-disulfonaphthalene-1,4-dicarboxylic acid

5,7-disulfonaphthalene-1,4-dicarboxylic acid

CAS: 1267804-17-0

Formula: C12H8O10S2

SMILES: OC(=O)C1=CC=C(C(O)=O)C2=C(C=C(C=C12)S(O)(=O)=O)S(O)(=O)=O

IUPAC: 5,7-disulfonaphthalene-1,4-dicarboxylic acid

InChI: InChI=1S/C12H8O10S2/c13-11(14)6-1-2-7(12(15)16)10-8(6)3-5(23(17,18)19)4-9(10)24(20,21)22/h1-4H,(H,13,14)(H,15,16)(H,17,18,19)(H,20,21,22)

Composition: C (38.30%), H (2.14%), O (42.52%), S (17.04%)

Molar Mass: 376.31

Atom Count: 32

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 375.955888806
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 4
InChIKey QLWFPXSURFRHGM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.27
Topological Polar Surface Area 183.34
Polarizability 32.04
Ring Count 2
Rotatable Bond Count 4

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