| CAS Number | 91349-96-1 |
| Catalog Number | AG019LB9(AGN-PC-02W5EP) |
| Chemical Name | 3-(Indolin-1-yl)propanenitrile |
| IUPAC Name | 3-(2,3-dihydroindol-1-yl)propanenitrile |
| InChI | InChI=1S/C11H12N2/c12-7-3-8-13-9-6-10-4-1-2-5-11(10)13/h1-2,4-5H,3,6,8-9H2 |
| InChI Key | TUVNVZQRVAQHKU-UHFFFAOYSA-N |
| MDL Number | MFCD09863394 |
| Molecular Formula | C11H12N2 |
| Molecular Weight | 172.2264 |
| SMILES | N#CCCN1CCC2=C1C=CC=C2 |
| Synonyms | 3-(2,3-dihydro-1H-indol-1-yl)propanenitrile,
91349-96-1,
1H-Indole-1-propanenitrile, 2,3-dihydro-,
AC1Q4SC5,
3-indolin-1-ylpropionitrile,
SCHEMBL19148289,
ZINC19808988,
AKOS000206475,
NE14558,
EN300-30680,
3-(2,3-dihydro-1H-indol-1-yl)-propionitrile,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.231g/mol |
| Monoisotopic Mass | 172.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 27A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number