| CAS Number | 98789-95-8 |
| Catalog Number | AG019ESN(AGN-PC-00MQO9) |
| Chemical Name | 4-Decylcyclohexanone |
| IUPAC Name | 4-decylcyclohexan-1-one |
| InChI | InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h15H,2-14H2,1H3 |
| InChI Key | QJIQWIMFIXEXSZ-UHFFFAOYSA-N |
| MDL Number | MFCD25323924 |
| Molecular Formula | C16H30O |
| Molecular Weight | 238.4088 |
| SMILES | CCCCCCCCCCC1CCC(=O)CC1 |
| Synonyms | 4-DECYLCYCLOHEXANONE,
98789-95-8,
4-Decylcyclohexan-1-one,
SCHEMBL9356259,
QJIQWIMFIXEXSZ-UHFFFAOYSA-N,
AKOS021583543,
ZINC138685817,
AS-57385,
CS-0061496,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.229666g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.41g/mol |
| Monoisotopic Mass | 238.229666g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 17.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.1 |
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Certificate of Analysis
Lot Number