| CAS Number | 53018-27-2 |
| Catalog Number | AG01A4PB(AGN-PC-003AYF) |
| Chemical Name | (3-Methylcyclohexyl)methanol |
| IUPAC Name | (3-methylcyclohexyl)methanol |
| InChI | InChI=1S/C8H16O/c1-7-3-2-4-8(5-7)6-9/h7-9H,2-6H2,1H3 |
| InChI Key | KGSNUSZZYWSOFK-UHFFFAOYSA-N |
| MDL Number | MFCD11204067 |
| Molecular Formula | C8H16O |
| Molecular Weight | 128.2120 |
| SMILES | CC1CC(CCC1)CO |
| Synonyms | (3-methylcyclohexyl)methanol,
53018-27-2,
3-Methylcyclohexanemethanol,
Cyclohexanemethanol, 3-methyl-,
SCHEMBL5336451,
CTK1G1561,
DTXSID30566821,
KGSNUSZZYWSOFK-UHFFFAOYSA-N,
1-Hydroxymethyl-3-methylcyclohexane,
AKOS013570877,
NE56246,
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| Complexity | 80.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number