| CAS Number | 1210782-06-1 |
| Catalog Number | AG01A03V(AGN-PC-0WO2X5) |
| Chemical Name | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-ol |
| IUPAC Name | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-ol |
| InChI | InChI=1S/C10H16O2/c1-7-5-6-8(12-7)9(11)10(2,3)4/h5-6,9,11H,1-4H3 |
| InChI Key | BSFBBLKTFNJLHN-UHFFFAOYSA-N |
| MDL Number | MFCD21328309 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | CC1OC(C(C(C)(C)C)O)=CC=1 |
| Synonyms | 2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-ol,
1210782-06-1,
AKOS015283755,
MCULE-6521843049,
NE46045,
Z1421986542,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number