| CAS Number | 35301-44-1 |
| Catalog Number | AG00IL9U(AGN-PC-0CM3EC) |
| Chemical Name | 2,2-Dimethylcyclobutanol |
| IUPAC Name | 2,2-dimethylcyclobutan-1-ol |
| InChI | InChI=1S/C6H12O/c1-6(2)4-3-5(6)7/h5,7H,3-4H2,1-2H3 |
| InChI Key | XHCDLTIWJSWMHC-UHFFFAOYSA-N |
| MDL Number | MFCD26959233 |
| Molecular Formula | C6H12O |
| Molecular Weight | 100.1589 |
| SMILES | CC1(C)C(O)CC1 |
| Synonyms | 2,2-dimethylcyclobutan-1-ol,
35301-44-1,
2,2-dimethylcyclobutanol,
SCHEMBL13625216,
MFCD26959233,
AS-53869,
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| Complexity | 76.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 100.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 100.161g/mol |
| Monoisotopic Mass | 100.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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