| CAS Number | 1251923-82-6 |
| Catalog Number | AG019NGC(AGN-PC-0WO49U) |
| Chemical Name | 4-ethylcyclohex-1-ene-1-carbonitrile |
| IUPAC Name | 4-ethylcyclohexene-1-carbonitrile |
| InChI | InChI=1S/C9H13N/c1-2-8-3-5-9(7-10)6-4-8/h5,8H,2-4,6H2,1H3 |
| InChI Key | QINNUVWYMDPAJA-UHFFFAOYSA-N |
| MDL Number | MFCD16817389 |
| Molecular Formula | C9H13N |
| Molecular Weight | 135.2062 |
| SMILES | CCC1CC=C(C#N)CC1 |
| Synonyms | 4-ethylcyclohex-1-ene-1-carbonitrile,
1251923-82-6,
AC1Q2UAM,
AKOS026727479,
MCULE-2648586933,
NE25770,
EN300-40344,
Z1250132432,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.21g/mol |
| Monoisotopic Mass | 135.105g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number