| CAS Number | 485397-41-9 |
| Catalog Number | AG01BEN9(AGN-PC-0RZXLT) |
| Chemical Name | 4-(Furan-2-yl)hepta-1,6-dien-4-ol |
| IUPAC Name | 4-(furan-2-yl)hepta-1,6-dien-4-ol |
| InChI | InChI=1S/C11H14O2/c1-3-7-11(12,8-4-2)10-6-5-9-13-10/h3-6,9,12H,1-2,7-8H2 |
| InChI Key | OYTNUPDNFKZGGB-UHFFFAOYSA-N |
| MDL Number | MFCD09033954 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | O1C(=CC=C1)C(CC=C)(CC=C)O |
| Synonyms | 4-(furan-2-yl)hepta-1,6-dien-4-ol,
485397-41-9,
alpha,alpha-Diallylfuran-2-methanol,
ZINC20216364,
AKOS004122375,
NE45902,
4-(2-furyl)hepta-1,6-dien-4-ol,
CID11206108,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 33.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number