| CAS Number | 5661-47-2 |
| Catalog Number | AG01C94I(AGN-PC-01N46N) |
| Chemical Name | 2-(2H-1,3-Benzodioxol-5-yl)acetamide |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)acetamide |
| InChI | InChI=1S/C9H9NO3/c10-9(11)4-6-1-2-7-8(3-6)13-5-12-7/h1-3H,4-5H2,(H2,10,11) |
| InChI Key | GIRXKOJKVUCAIB-UHFFFAOYSA-N |
| MDL Number | MFCD19347566 |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.1727 |
| SMILES | O1COC2=C1C=CC(=C2)CC(=O)N |
| Synonyms | 2-(2H-1,3-benzodioxol-5-yl)acetamide,
5661-47-2,
1,3-Benzodioxole-5-acetamide,
SCHEMBL1395778,
3,4-methylenedioxyphenylacetamide,
GIRXKOJKVUCAIB-UHFFFAOYSA-N,
2-(1,3-benzodioxol-5-yl)acetamide,
(1,3-benzodioxol-5-ylmethyl)-amide,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.175g/mol |
| Monoisotopic Mass | 179.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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