| CAS Number | 1019446-59-3 |
| Catalog Number | AG009MZ4(AGN-PC-0WQVP5) |
| Chemical Name | 3-(Cyclohexylmethoxy)benzaldehyde |
| IUPAC Name | 3-(cyclohexylmethoxy)benzaldehyde |
| InChI | InChI=1S/C14H18O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2 |
| InChI Key | WHKLMKVCYKWULR-UHFFFAOYSA-N |
| MDL Number | MFCD11127670 |
| Molecular Formula | C14H18O2 |
| Molecular Weight | 218.2915 |
| SMILES | O=Cc1cccc(c1)OCC1CCCCC1 |
| Synonyms | 3-(cyclohexylmethoxy)benzaldehyde,
1019446-59-3,
SCHEMBL2208063,
ZINC19806592,
AKOS000202381,
AS-61461,
CS-0035729,
EN300-56569,
AC1Q6PT1,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.13068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.29g/mol |
| Monoisotopic Mass | 218.13068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
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