| CAS Number | 2815-37-4 |
| Catalog Number | AG00BVQ8(AGN-PC-0NF3BH) |
| Chemical Name | 6-Phenyl-1-oxaspiro[2.5]octane |
| IUPAC Name | 6-phenyl-1-oxaspiro[2.5]octane |
| InChI | InChI=1S/C13H16O/c1-2-4-11(5-3-1)12-6-8-13(9-7-12)10-14-13/h1-5,12H,6-10H2 |
| InChI Key | RDIINJBTORBOFF-UHFFFAOYSA-N |
| MDL Number | MFCD17218336 |
| Molecular Formula | C13H16O |
| Molecular Weight | 188.2655 |
| SMILES | C1C2(CCC(C3=CC=CC=C3)CC2)O1 |
| Synonyms | 6-phenyl-1-oxaspiro[2.5]octane,
2815-37-4,
1-Oxaspiro[2.5]octane, 6-phenyl-,
SCHEMBL2527130,
CTK0I5308,
DTXSID50453406,
ZINC34618731,
AKOS006320965,
AKOS012066938,
QC-9548,
RL02953,
AB0048468,
J-518981,
CID11052404,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.27g/mol |
| Monoisotopic Mass | 188.12g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number