| CAS Number | 90154-71-5 |
| Catalog Number | AG01AA65(AGN-PC-000OVB) |
| Chemical Name | 2-Methylcyclohexane-1-carbonitrile |
| IUPAC Name | 2-methylcyclohexane-1-carbonitrile |
| InChI | InChI=1S/C8H13N/c1-7-4-2-3-5-8(7)6-9/h7-8H,2-5H2,1H3 |
| InChI Key | BHPVHUWELLQKHU-UHFFFAOYSA-N |
| MDL Number | MFCD11641475 |
| Molecular Formula | C8H13N |
| Molecular Weight | 123.1955 |
| SMILES | CC1C(C#N)CCCC1 |
| Synonyms | 2-methylcyclohexane-1-carbonitrile,
90154-71-5,
ACMC-20lspb,
AC1Q2R0Z,
SCHEMBL171448,
2-Methylcyclohexanecarbonitrile,
DTXSID70557319,
Cyclohexanecarbonitrile, 2-methyl-,
AKOS008129051,
MCULE-9314555714,
NE28155,
EN300-67177,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 123.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 123.199g/mol |
| Monoisotopic Mass | 123.105g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number