| CAS Number | 62456-11-5 |
| Catalog Number | AG01AL41(AGN-PC-0NI7QS) |
| Chemical Name | 2-(3-Hydroxypropyl)cyclohexanone |
| IUPAC Name | 2-(3-hydroxypropyl)cyclohexan-1-one |
| InChI | InChI=1S/C9H16O2/c10-7-3-5-8-4-1-2-6-9(8)11/h8,10H,1-7H2 |
| InChI Key | JPUCVMZNPZFTQD-UHFFFAOYSA-N |
| MDL Number | MFCD00619645 |
| Molecular Formula | C9H16O2 |
| Molecular Weight | 156.2221 |
| SMILES | OCCCC1C(=O)CCCC1 |
| Synonyms | 2-(3-hydroxypropyl)cyclohexan-1-one,
62456-11-5,
2-(3-hydroxypropyl)cyclohexanone,
Cyclohexanone, 2-(3-hydroxypropyl)-,
SCHEMBL11595453,
CTK2B9490,
DTXSID00482120,
AKOS015907259,
2-(3-hydroxy-propyl)-cyclohexan-1-one,
I14-21199,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.225g/mol |
| Monoisotopic Mass | 156.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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