| CAS Number | 1031206-36-6 |
| Catalog Number | AG0097FJ(AGN-PC-0WAGZN) |
| Chemical Name | 3-[1-(3-Hydroxy-4-methoxyphenyl)-meth-(E)-ylidene]-6-methyl-chroman-4-one |
| IUPAC Name | (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methylchromen-4-one |
| InChI | InChI=1S/C18H16O4/c1-11-3-5-16-14(7-11)18(20)13(10-22-16)8-12-4-6-17(21-2)15(19)9-12/h3-9,19H,10H2,1-2H3/b13-8+ |
| InChI Key | BZCADTHMZLYKAR-MDWZMJQESA-N |
| MDL Number | MFCD12912419 |
| Molecular Formula | C18H16O4 |
| Molecular Weight | 296.3172 |
| SMILES | OC=1C=C(C=C2/COC3=CC=C(C=C3C2=O)C)C=CC1OC |
| Synonyms | 3-(1-(3-hydroxy-4-methoxyphenyl)methylidene)-6-methylchroman-4-one,
IMS 2186,
IMS-2186,
IMS2186,
IMS2186,
1031206-36-6,
IMS 2186,
SCHEMBL4732781,
HMS3263I22,
Tox21_501090,
ZINC44018876,
CCG-222394,
LP01090,
NCGC00261775-01,
IMS2186, >=98% (HPLC), solid,
J-000877,
(E)-3-(3-hydroxy-4-methoxybenzylidene)-6-methylchroman-4-one,
3-[1-(3-Hydroxy-4-methoxyphenyl)-meth-(E)-ylidene]-6-methyl-chroman-4-one,
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| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 296.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.322g/mol |
| Monoisotopic Mass | 296.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number