| CAS Number | 884497-57-8 |
| Catalog Number | AG008CMW(AGN-PC-0WB4JL) |
| Chemical Name | 1-[2-(3,5-dimethylphenoxy)ethyl]-1H-indole-3-carbaldehyde |
| IUPAC Name | 1-[2-(3,5-dimethylphenoxy)ethyl]indole-3-carbaldehyde |
| InChI | InChI=1S/C19H19NO2/c1-14-9-15(2)11-17(10-14)22-8-7-20-12-16(13-21)18-5-3-4-6-19(18)20/h3-6,9-13H,7-8H2,1-2H3 |
| InChI Key | LEZHJNVNHSKUMV-UHFFFAOYSA-N |
| MDL Number | MFCD05863697 |
| Molecular Formula | C19H19NO2 |
| Molecular Weight | 293.3597 |
| SMILES | C1(C=O)C2C=CC=CC=2N(CCOC2=CC(C)=CC(C)=C2)C=1 |
| Synonyms | 884497-57-8,
1-[2-(3,5-dimethylphenoxy)ethyl]-1H-indole-3-carbaldehyde,
1-(2-(3,5-Dimethylphenoxy)ethyl)-1H-indole-3-carbaldehyde,
CHEMBRDG-BB 6440701,
AC1MY3RP,
1-[2-(3,5-dimethylphenoxy)ethyl]indole-3-carbaldehyde,
CTK5F9876,
DTXSID80397309,
ZINC2555562,
ZX-CM016668,
MFCD05863697,
AKOS022184434,
AJ-39790,
Y-1881,
CHEMBRDG-BB6440701,
CID3850687,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.366g/mol |
| Monoisotopic Mass | 293.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 31.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number