| CAS Number | 949021-68-5 |
| Catalog Number | AG01ENUC(AGN-PC-3H4632) |
| Chemical Name | Sodium formononetin-3'-sulfonate |
| IUPAC Name | sodium;5-(7-hydroxy-4-oxochromen-3-yl)-2-methoxybenzenesulfonate |
| InChI | InChI=1S/C16H12O7S.Na/c1-22-13-5-2-9(6-15(13)24(19,20)21)12-8-23-14-7-10(17)3-4-11(14)16(12)18;/h2-8,17H,1H3,(H,19,20,21);/q;+1/p-1 |
| InChI Key | MEFDNOYSDRFHOA-UHFFFAOYSA-M |
| MDL Number | MFCD25563226 |
| Molecular Formula | C16H11NaO7S |
| Molecular Weight | 370.3091 |
| SMILES | S(O[Na])(=O)(=O)C1=C(OC)C=CC(=C1)C1=COC2=CC(=CC=C2C1=O)O |
| Synonyms | Sodium formononetin-3'-sulfonate,
949021-68-5,
CS-0865,
HY-13063,
AB0165480,
W-6084,
Sodium formononetin-3(acute)-sulfonate,
A15244,
|
| Complexity | 627 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.307g/mol |
| Monoisotopic Mass | 370.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number