| CAS Number | 18775-43-4 |
| Catalog Number | AG01BF4D(AGN-PC-002NOD) |
| Chemical Name | 2-(2,3-dihydro-1H-inden-5-yl)acetonitrile |
| IUPAC Name | 2-(2,3-dihydro-1H-inden-5-yl)acetonitrile |
| InChI | InChI=1S/C11H11N/c12-7-6-9-4-5-10-2-1-3-11(10)8-9/h4-5,8H,1-3,6H2 |
| InChI Key | FZSXXUAESILITC-UHFFFAOYSA-N |
| MDL Number | MFCD19680225 |
| Molecular Formula | C11H11N |
| Molecular Weight | 157.2117 |
| SMILES | N#CCC1=CC2=C(CCC2)C=C1 |
| Synonyms | 2-(2,3-dihydro-1H-inden-5-yl)acetonitrile,
18775-43-4,
5-Indanylacetonitrile,
1H-Indene-5-acetonitrile, 2,3-dihydro-,
SCHEMBL1466419,
FZSXXUAESILITC-UHFFFAOYSA-N,
ZINC34371922,
AKOS013541543,
NE31185,
Z1889709971,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.216g/mol |
| Monoisotopic Mass | 157.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number