| CAS Number | 1227401-27-5 |
| Catalog Number | AG009BNE |
| Chemical Name | GN25 |
| IUPAC Name | 3-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid |
| InChI | InChI=1S/C15H14O6S/c1-20-9-3-4-10(21-2)14-13(9)8(16)7-11(15(14)19)22-6-5-12(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18) |
| InChI Key | DIIRLGMLDOPLPV-UHFFFAOYSA-N |
| MDL Number | MFCD11007931 |
| Molecular Formula | C15H14O6S |
| Molecular Weight | 322.3331 |
| SMILES | O=C1C=C(SCCC(O)=O)C(C2=C(OC)C=CC(OC)=C21)=O |
| Synonyms | GN25,
1227401-27-5,
SCHEMBL357982,
ZINC71789379,
DIIRLGMLDOPLPV-UHFFFAOYSA-N,
|
| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.331g/mol |
| Monoisotopic Mass | 322.051g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number