| CAS Number | 269075-46-9 |
| Catalog Number | AG00IND8(AGN-PC-0WAQ73) |
| Chemical Name | (6-Methoxy-3-methylbenzofuran-2-yl)(phenyl)methanone |
| IUPAC Name | (6-methoxy-3-methyl-1-benzofuran-2-yl)-phenylmethanone |
| InChI | InChI=1S/C17H14O3/c1-11-14-9-8-13(19-2)10-15(14)20-17(11)16(18)12-6-4-3-5-7-12/h3-10H,1-2H3 |
| InChI Key | KWNOCCDHRFAWPC-UHFFFAOYSA-N |
| MDL Number | MFCD00243858 |
| Molecular Formula | C17H14O3 |
| Molecular Weight | 266.2913 |
| SMILES | O=C(C1(=CC=CC=C1))C=2(OC3(=CC(OC)=CC=C3(C=2C))) |
| Synonyms | (6-methoxy-3-methyl-1-benzofuran-2-yl)(phenyl)methanone,
269075-46-9,
(6-Methoxy-3-methylbenzofuran-2-yl)(phenyl)methanone,
AC1LSYC6,
Oprea1_433609,
KS-00001RSS,
ZINC1385008,
MFCD00243858,
AKOS005077596,
MCULE-6312752896,
11J-549S,
ZB016639,
2-benzoyl-6-methoxy-3-methyl-1-benzofuran,
(6-methoxy-3-methyl-1-benzofuran-2-yl)-phenylmethanone,
(6-methoxy-3-methyl-benzofuran-2-yl)-phenyl-methanone,
ZINC01385008,
CID1473404,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.296g/mol |
| Monoisotopic Mass | 266.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number