| CAS Number | 959417-21-1 |
| Catalog Number | AG01EPW4(AGN-PC-0WAHRV) |
| Chemical Name | 3,4,7,9-tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one |
| IUPAC Name | 3,4,7,9-tetrahydroxy-1-methylbenzo[c]chromen-6-one |
| InChI | InChI=1S/C14H10O6/c1-5-2-9(17)12(18)13-10(5)7-3-6(15)4-8(16)11(7)14(19)20-13/h2-4,15-18H,1H3 |
| InChI Key | LZRNPNMGYBWDKK-UHFFFAOYSA-N |
| MDL Number | MFCD28898830 |
| Molecular Formula | C14H10O6 |
| Molecular Weight | 274.2256 |
| SMILES | CC1=C(C2=C(C(O3)=O)C(O)=CC(O)=C2)C3=C(O)C(O)=C1 |
| Synonyms | 959417-21-1,
4-Hydroxyalternariol,
Hydroxyalternariol, 4-,
3,4,7,9-tetrahydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one,
3,4,7,9-Tetrahydroxy-1-methylbenzo[c]chromen-6-one,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.228g/mol |
| Monoisotopic Mass | 274.048g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number