| CAS Number | 18913-38-7 |
| Catalog Number | AG00B29T(AGN-PC-00P982) |
| Chemical Name | 1-(2,3-dihydro-1H-isoindol-2-yl)ethan-1-one |
| IUPAC Name | 1-(1,3-dihydroisoindol-2-yl)ethanone |
| InChI | InChI=1S/C10H11NO/c1-8(12)11-6-9-4-2-3-5-10(9)7-11/h2-5H,6-7H2,1H3 |
| InChI Key | FPULJIHNWKBSCZ-UHFFFAOYSA-N |
| MDL Number | MFCD18809201 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CC(N1CC2=C(C=CC=C2)C1)=O |
| Synonyms | 2-acetylisoindoline,
18913-38-7,
1-(Isoindolin-2-yl)ethanone,
1-(2,3-dihydro-1H-isoindol-2-yl)ethan-1-one,
N-acetylisoindoline,
1-(1,3-Dihydroisoindol-2-yl)ethanone,
SCHEMBL1197829,
CTK8H4066,
FPULJIHNWKBSCZ-UHFFFAOYSA-N,
ZINC28166859,
AKOS012921032,
NE61426,
1-(2,3-dihydro-1H-isoindol-2-yl)-ethanone,
1H-ISOINDOLE, 2-ACETYL-2,3-DIHYDRO- (9CI),
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number