| CAS Number | 13076-15-8 |
| Catalog Number | AG01A4SE(AGN-PC-0NJNZA) |
| Chemical Name | 2-Methylcyclohexane-1-carbaldehyde |
| IUPAC Name | 2-methylcyclohexane-1-carbaldehyde |
| InChI | InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h6-8H,2-5H2,1H3 |
| InChI Key | BXRDRWXTTQUDAR-UHFFFAOYSA-N |
| MDL Number | MFCD21321761 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC1C(C=O)CCCC1 |
| Synonyms | 2-methylcyclohexane-1-carbaldehyde,
2-methylcyclohexanal,
SCHEMBL1458596,
AKOS015258179,
NE16731,
13076-15-8,
I01-4200,
2-methylcyclohexyl carboxaldehyde,
|
| Complexity | 98.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.199g/mol |
| Monoisotopic Mass | 126.104g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number