| CAS Number | 13076-16-9 |
| Catalog Number | AG000UXV(AGN-PC-001ZN9) |
| Chemical Name | 3-Methylcyclohexanecarbaldehyde |
| IUPAC Name | 3-methylcyclohexane-1-carbaldehyde |
| InChI | InChI=1S/C8H14O/c1-7-3-2-4-8(5-7)6-9/h6-8H,2-5H2,1H3 |
| InChI Key | VKKKNBBQMSBFCV-UHFFFAOYSA-N |
| MDL Number | MFCD20281401 |
| Molecular Formula | C8H14O |
| Molecular Weight | 126.1962 |
| SMILES | CC1CC(C=O)CCC1 |
| Synonyms | 3-methylcyclohexane-1-carbaldehyde,
13076-16-9,
3-Methylcyclohexanecarbaldehyde,
Cyclohexanecarboxaldehyde, 3-methyl-,
5-methyl-cyclo-hexanal,
SCHEMBL1299494,
3-Methylcyclohexanecarboxaldehyde,
CTK0F5659,
DTXSID70562281,
VKKKNBBQMSBFCV-UHFFFAOYSA-N,
AKOS013572519,
NE36849,
I01-4135,
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| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number