| CAS Number | 1027924-71-5 |
| Catalog Number | AG00H9V2(AGN-PC-0WRA1O) |
| Chemical Name | 2-(3-Methoxyphenyl)-N-propylacetamide |
| IUPAC Name | 2-(3-methoxyphenyl)-N-propylacetamide |
| InChI | InChI=1S/C12H17NO2/c1-3-7-13-12(14)9-10-5-4-6-11(8-10)15-2/h4-6,8H,3,7,9H2,1-2H3,(H,13,14) |
| InChI Key | CHWNXXGSDINFKD-UHFFFAOYSA-N |
| MDL Number | MFCD19383381 |
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| SMILES | CCCNC(=O)Cc1cccc(c1)OC |
| Synonyms | 2-(3-methoxyphenyl)-N-propylacetamide,
1027924-71-5,
ZINC34481382,
AKOS008934335,
2-(3-methoxyphenyl)-N-propyl-acetamide,
CID10798373,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.273g/mol |
| Monoisotopic Mass | 207.126g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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