| CAS Number | 1965310-35-3 |
| Catalog Number | AG00ASX0(AGN-PC-0WOH6I) |
| Chemical Name | (4,4-Dimethylcyclohexyl)methanediol |
| IUPAC Name | (4,4-dimethylcyclohexyl)methanediol |
| InChI | InChI=1S/C9H18O2/c1-9(2)5-3-7(4-6-9)8(10)11/h7-8,10-11H,3-6H2,1-2H3 |
| InChI Key | BKYARZUZUNFSHI-UHFFFAOYSA-N |
| MDL Number | MFCD30181861 |
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.2380 |
| SMILES | CC1(C)CCC(CC1)C(O)O |
| Synonyms | (4,4-dimethylcyclohexyl)methanediol,
1965310-35-3,
MFCD30181861,
AKOS030530484,
ACN-045373,
CS-0060753,
4,4-Dimethyl-cyclohexanecarbaldehyde hydrate,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.241g/mol |
| Monoisotopic Mass | 158.131g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number