| CAS Number | 124276-51-3 |
| Catalog Number | AG00HHM1(AGN-PC-0WR2O9) |
| Chemical Name | 1-(o-tolyl)cyclopropanecarbonitrile |
| IUPAC Name | 1-(2-methylphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C11H11N/c1-9-4-2-3-5-10(9)11(8-12)6-7-11/h2-5H,6-7H2,1H3 |
| InChI Key | ZBRVAKYASUGIAX-UHFFFAOYSA-N |
| MDL Number | MFCD07374411 |
| Molecular Formula | C11H11N |
| Molecular Weight | 157.2117 |
| SMILES | CC1=C(C2(C#N)CC2)C=CC=C1 |
| Synonyms | 124276-51-3,
1-O-TOLYLCYCLOPROPANECARBONITRILE,
1-(O-TOLYL)CYCLOPROPANECARBONITRILE,
1-(2-Methylphenyl)cyclopropanecarbonitrile,
1-(2-METHYLPHENYL)CYCLOPROPANE-1-CARBONITRILE,
Cyclopropanecarbonitrile, 1-(2-methylphenyl)-,
SCHEMBL10528035,
DTXSID60569784,
1-o-tolyl-cyclopropanecarbonitrile,
ZBRVAKYASUGIAX-UHFFFAOYSA-N,
ZINC34494114,
AB39393,
SY226689,
FT-0734782,
MFCD07374411 (95%),
|
| Complexity | 218 |
| 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 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number