| CAS Number | 1414029-54-1 |
| Catalog Number | AG009X7N(AGN-PC-0WA55P) |
| Chemical Name | 2-(4-Methoxybenzyloxymethyl)-1-(4-methoxybenzyl)pyrrole |
| IUPAC Name | 2-[(4-methoxyphenyl)methoxymethyl]-1-[(4-methoxyphenyl)methyl]pyrrole |
| InChI | InChI=1S/C21H23NO3/c1-23-20-9-5-17(6-10-20)14-22-13-3-4-19(22)16-25-15-18-7-11-21(24-2)12-8-18/h3-13H,14-16H2,1-2H3 |
| InChI Key | UXZHTBCTIGKBDG-UHFFFAOYSA-N |
| MDL Number | MFCD22574949 |
| Molecular Formula | C21H23NO3 |
| Molecular Weight | 337.4122 |
| SMILES | COc1ccc(cc1)COCc1cccn1Cc1ccc(cc1)OC |
| Synonyms | 2-(4-METHOXYBENZYLOXYMETHYL)-1-(4-METHOXYBENZYL)PYRROLE,
1414029-54-1,
KM3875,
ZINC95217974,
V3102,
C21H23NO3,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.419g/mol |
| Monoisotopic Mass | 337.168g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 32.6A^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