| CAS Number | 124276-71-7 |
| Catalog Number | AG00HHM2 |
| Chemical Name | 1-M-Tolylcyclopropanecarbonitrile |
| IUPAC Name | 1-(3-methylphenyl)cyclopropane-1-carbonitrile |
| InChI | InChI=1S/C11H11N/c1-9-3-2-4-10(7-9)11(8-12)5-6-11/h2-4,7H,5-6H2,1H3 |
| InChI Key | AFELCFFDKRTCHL-UHFFFAOYSA-N |
| MDL Number | MFCD07374417 |
| Molecular Formula | C11H11N |
| Molecular Weight | 157.2117 |
| SMILES | CC1=CC(C2(C#N)CC2)=CC=C1 |
| Synonyms | 124276-71-7,
1-(M-TOLYL)CYCLOPROPANECARBONITRILE,
1-M-TOLYLCYCLOPROPANECARBONITRILE,
1-m-tolyl-cyclopropanecarbonitrile,
1-(3-METHYLPHENYL)CYCLOPROPANE-1-CARBONITRILE,
SCHEMBL1986488,
CTK7C5649,
DTXSID90601782,
AFELCFFDKRTCHL-UHFFFAOYSA-N,
MFCD07374417,
ZINC36962343,
AKOS009374834,
AB39405,
AS-41496,
Cyclopropanecarbonitrile, 1-(3-methylphenyl)-,
Z2168515540,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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