| CAS Number | 1353223-95-6 |
| Catalog Number | AG007LGA(AGN-PC-0BMUAG) |
| Chemical Name | 3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one |
| IUPAC Name | 3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one |
| InChI | InChI=1S/C18H16O5/c1-9-6-12-14(7-10(9)2)23-18(17(21)16(12)20)11-4-5-13(19)15(8-11)22-3/h4-8,19,21H,1-3H3 |
| InChI Key | NGURIRRXLYGCEF-UHFFFAOYSA-N |
| MDL Number | MFCD22192464 |
| Molecular Formula | C18H16O5 |
| Molecular Weight | 312.3166 |
| SMILES | COc1cc(ccc1O)c1oc2cc(C)c(cc2c(=O)c1O)C |
| Synonyms | 1353223-95-6,
3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one,
ACMC-209c05,
CHEMBL1951827,
SCHEMBL14697047,
CTK8B0340,
DTXSID40718935,
ANW-19827,
MFCD22192464,
ZINC73258880,
AKOS026672817,
TC-108572,
Z9909,
B-9184,
3-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethyl-4H-1-benzopyran-4-one,
NGURIRRXLYGCEF-UHFFFAOYSA-N,
C18H16O5,
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| Complexity | 500 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 312.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.321g/mol |
| Monoisotopic Mass | 312.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number