| CAS Number | 3113-98-2 |
| Catalog Number | AG019R84(AGN-PC-0R6H9L) |
| Chemical Name | (1S)-1-CYCLOHEXYLETHAN-1-OL |
| IUPAC Name | (1S)-1-cyclohexylethanol |
| InChI | InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3/t7-/m0/s1 |
| InChI Key | JMSUNAQVHOHLMX-ZETCQYMHSA-N |
| MDL Number | MFCD14705946 |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.2120 |
| SMILES | [C@@H](C)(O)C1CCCCC1 |
| Synonyms | (S)-1-Cyclohexylethanol,
(1S)-1-cyclohexylethan-1-ol,
3113-98-2,
(S)-1-Cyclohexylethan-1-ol,
AC1Q29O2,
SCHEMBL1056494,
ZINC1700004,
MFCD14705946,
NE24624,
AJ-30441,
EN300-89234,
NSC9476,
CID9964092,
Cyclohexanemethanol, alpha-methyl-, (S)-,
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| Complexity | 74.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.215g/mol |
| Monoisotopic Mass | 128.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number