Sodium 2-(nonanoyloxy)benzenesulfonate - CAS 181213-09-2
Catalog: |
BB054308 |
Product Name: |
Sodium 2-(nonanoyloxy)benzenesulfonate |
CAS: |
181213-09-2 |
Synonyms: |
Nonanoic acid, sulfophenyl ester, sodium salt; Nonanoic acid, 2-sulfophenyl ester, sodium salt (1:1); sodium nonanoyloxybenzene sulfonate; sodium nonanoyloxybenzene sulphonate; Sodium nonanoyloxybenzene; Sulfophenyl nonanoate sodium salt |
Related CAS: | 171550-57-5 (free acid)
|
IUPAC Name: | sodium;2-nonanoyloxybenzenesulfonate |
Molecular Weight: | 336.38 |
Molecular Formula: | C15H21NaO5S |
Canonical SMILES: | CCCCCCCCC(=O)OC1=CC=CC=C1S(=O)(=O)[O-].[Na+] |
InChI: | InChI=1S/C15H22O5S.Na/c1-2-3-4-5-6-7-12-15(16)20-13-10-8-9-11-14(13)21(17,18)19;/h8-11H,2-7,12H2,1H3,(H,17,18,19);/q;+1/p-1 |
InChI Key: | QSKQNALVHFTOQX-UHFFFAOYSA-M |
Purity: | ≥95% |
Appearance: | Dry powder |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Danger |
Complexity: | 405 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 336.10073922 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 336.10073922 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 91.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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