| CAS Number | 168705-70-2 |
| Catalog Number | AG01DVT0(AGN-PC-0MUBZT) |
| Chemical Name | N-[(1,3-dioxaindan-5-yl)methyl]-N-methylacetamide |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-N-methylacetamide |
| InChI | InChI=1S/C11H13NO3/c1-8(13)12(2)6-9-3-4-10-11(5-9)15-7-14-10/h3-5H,6-7H2,1-2H3 |
| InChI Key | JIWDGIYBLGMPRV-UHFFFAOYSA-N |
| MDL Number | MFCD00929080 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | CN(C(C)=O)CC1=CC2=C(OCO2)C=C1 |
| Synonyms | 168705-70-2,
N-[(2H-1,3-Benzodioxol-5-yl)methyl]-N-methylacetamide,
SCHEMBL12632572,
JIWDGIYBLGMPRV-UHFFFAOYSA-N,
AKOS008979952,
N-methyl-N-acetyl-3,4-methylenedioxybenzylamine,
N-[(1,3-dioxaindan-5-yl)methyl]-N-methylacetamide,
CID9837165,
N-(benzo[1,3]dioxol-5-ylmethyl)-N-methyl-acetamide,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number