sodium 5,6,7,8-tetrahydronaphthalene-2-sulphonate

: Iupac Name：sodium;5,6,7,8-tetrahydronaphthalene-2-sulfonate; CAS No.: 135-80-8; Molecular Weight：234.245; Modify Date.: 2023-02-10 12:04

1. Names and Identifiers

: 1.1 Name; sodium 5,6,7,8-tetrahydronaphthalene-2-sulphonate; 1.2 Synonyms; 205-221-8 2-Naphthalenesulfonic acid, 5,6,7,8-tetrahydro-, sodium salt 2-Naphthalenesulfonic acid, 5,6,7,8-tetrahydro-, sodium salt (1:1) 5,6,7,8-Tetrahydro-2-naphthalenesulfonic acid sodium salt Alkanol S MFCD24248583 Sodium 5,6,7,8-tetrahydro-2-naphthalenesulfonate sodium 5,6,7,8-tetrahydronaphthalene-2-sulfonate sodium 5,6,7,8-tetrahydronaphthalene-2-sulphonate; View all

1.7 Inchi: InChI=1S/C10H12O3S.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h5-7H,1-4H2,(H,11,12,13);/q;+1/p-1

2. Properties

3. MSDS

no data available

no data available

4. Computational chemical data

Molecular Weight: 234.245g/mol
Molecular Formula: C₁₀H₁₁NaO₃S
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 234.03265966
Monoisotopic Mass: 234.03265966
Complexity: 296
Rotatable Bond Count: 1
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 65.6
Heavy Atom Count: 15
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 2
CACTVS Substructure Key Fingerprint: AAADccBwMCBAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAADBAAAAGAQAAAAADACAWAAwAYAAAAKAAiBCAHBCAEAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgIAOkAAAgAAQAAAgAAEAACAAAAAAAAAAAA==