| CAS Number | 1443981-71-2 |
| Catalog Number | AG01A55K(AGN-PC-0WO3D3) |
| Chemical Name | 2,2-dimethylcyclobutane-1,3-diol |
| IUPAC Name | 2,2-dimethylcyclobutane-1,3-diol |
| InChI | InChI=1S/C6H12O2/c1-6(2)4(7)3-5(6)8/h4-5,7-8H,3H2,1-2H3 |
| InChI Key | CREZVKNYLKCGGU-UHFFFAOYSA-N |
| MDL Number | MFCD24842799 |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.1583 |
| SMILES | CC1(C(O)CC1O)C |
| Synonyms | 2,2-dimethylcyclobutane-1,3-diol,
1443981-71-2,
AKOS026727184,
NE38426,
|
| Complexity | 88.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.16g/mol |
| Monoisotopic Mass | 116.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number