| CAS Number | 76297-05-7 |
| Catalog Number | AG00ICQ4 |
| Chemical Name | 1,4-Dioxaspiro[4.5]decan-8-yl benzoate |
| IUPAC Name | 1,4-dioxaspiro[4.5]decan-8-yl benzoate |
| InChI | InChI=1S/C15H18O4/c16-14(12-4-2-1-3-5-12)19-13-6-8-15(9-7-13)17-10-11-18-15/h1-5,13H,6-11H2 |
| InChI Key | JFAUAEPRQAYAIG-UHFFFAOYSA-N |
| MDL Number | MFCD23378780 |
| Molecular Formula | C15H18O4 |
| Molecular Weight | 262.3010 |
| SMILES | O=C(c1ccccc1)OC1CCC2(CC1)OCCO2 |
| Synonyms | 1,4-dioxaspiro[4.5]decan-8-yl benzoate,
76297-05-7,
SCHEMBL12127600,
MFCD23378780,
ZINC133000312,
Z-2868,
1,?4-?Dioxaspiro[4.5]?decan-?8-?yl ?benzoate,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.305g/mol |
| Monoisotopic Mass | 262.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number