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sodium 5,8-dicarboxynaphthalene-2-sulfonate

sodium 5,8-dicarboxynaphthalene-2-sulfonate

CAS: 76214-10-3

Formula: C12H7NaO7S

SMILES: [Na+].OC(=O)C1=CC=C(C(O)=O)C2=CC(=CC=C12)S([O-])(=O)=O

IUPAC: sodium 5,8-dicarboxynaphthalene-2-sulfonate

InChI: InChI=1S/C12H8O7S.Na/c13-11(14)8-3-4-9(12(15)16)10-5-6(20(17,18)19)1-2-7(8)10;/h1-5H,(H,13,14)(H,15,16)(H,17,18,19);/q;+1/p-1

Composition: C (45.29%), H (2.22%), Na (7.22%), O (35.19%), S (10.07%)

Molar Mass: 318.23

Atom Count: 28

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 317.98101802
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey YLMFDJKXEMPDQB-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 66.52
Topological Polar Surface Area 131.8
Polarizability 27.11
Ring Count 2
Rotatable Bond Count 3

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