| CAS Number | 20095-27-6 |
| Catalog Number | AG002D3X(AGN-PC-00URQS) |
| Chemical Name | Sodium 1-hydroxy-2-(1H-indol-3-yl)ethane-1-sulfonate |
| IUPAC Name | sodium;1-hydroxy-2-(1H-indol-3-yl)ethanesulfonate |
| InChI | InChI=1S/C10H11NO4S.Na/c12-10(16(13,14)15)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,10-12H,5H2,(H,13,14,15);/q;+1/p-1 |
| InChI Key | WYKPCRCESPDDQX-UHFFFAOYSA-M |
| MDL Number | MFCD00012079 |
| Molecular Formula | C10H10NNaO4S |
| Molecular Weight | 263.2455 |
| SMILES | [Na+].OC(S([O-])(=O)=O)CC1C2=C(C=CC=C2)NC=1 |
| Synonyms | 20095-27-6,
sodium 1-hydroxy-2-(1H-indol-3-yl)ethane-1-sulfonate,
MFCD28143999,
AKOS026482777,
1-Hydroxy-2-(1H-indol-3-yl)ethanesulfonate (Na+),
J-013005,
Indole-3-acetaldehyde Csodium bisulfite addition compound,
Z1983080300,
INDOLE-3-ACETALDEHYDESODIUMBISULFITEADDITIONCOMPOUND,
SODIUM 1-HYDROXY-2-(1H-INDOL-3-YL)ETHANESULFONATE,
INDOLE-3-ACETALDEHYDE SODIUM BISULFITE ADDITION COMPOUND,
1H-Indole-3-ethanesulfonic acid, alpha-hydroxy-, sodium salt (1:1),
3-Indole-3-acetaldehyde sodium bisulfite,
Indole-3-acetaldehyde-sodium bisulfite addition compound,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.243g/mol |
| Monoisotopic Mass | 263.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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