| CAS Number | 20514-52-7 |
| Catalog Number | AG0029W9(AGN-PC-0QV2DL) |
| Chemical Name | 3-CYCLOHEXYL-2-METHYLPROPANAL |
| IUPAC Name | 3-cyclohexyl-2-methylpropanal |
| InChI | InChI=1S/C10H18O/c1-9(8-11)7-10-5-3-2-4-6-10/h8-10H,2-7H2,1H3 |
| InChI Key | NYFQSZVPADHYTD-UHFFFAOYSA-N |
| MDL Number | MFCD20385113 |
| Molecular Formula | C10H18O |
| Molecular Weight | 154.2493 |
| NSC Number | 22286 |
| SMILES | CC(C=O)CC1CCCCC1 |
| Synonyms | 3-cyclohexyl-2-methylpropanal,
20514-52-7,
NSC22286,
AC1L5GN0,
AC1Q6PK9,
2-Methyl-3-cyclohexylpropanal,
3-cyclohexyl-2-methyl-propanal,
SCHEMBL11449274,
CTK1A4249,
DTXSID20281637,
Cyclohexanepropanal, alpha-methyl-,
NSC-22286,
AKOS013991297,
NE33420,
AR-1F2859,
CID228994,
23517-58-0,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.253g/mol |
| Monoisotopic Mass | 154.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number