| CAS Number | 206435-98-5 |
| Catalog Number | AG01A09S(AGN-PC-0QW1AS) |
| Chemical Name | 2H,3H,4H,5H,7H,8H,9H-indeno[5,6-b]oxepin-5-one |
| IUPAC Name | 2,3,4,7,8,9-hexahydrocyclopenta[h][1]benzoxepin-5-one |
| InChI | InChI=1S/C13H14O2/c14-12-5-2-6-15-13-8-10-4-1-3-9(10)7-11(12)13/h7-8H,1-6H2 |
| InChI Key | ZVODBHXATUGMTO-UHFFFAOYSA-N |
| MDL Number | MFCD11104776 |
| Molecular Formula | C13H14O2 |
| Molecular Weight | 202.2491 |
| SMILES | O=C1C2=C(C=C3C(=C2)CCC3)OCCC1 |
| Synonyms | 2H,3H,4H,5H,7H,8H,9H-indeno[5,6-b]oxepin-5-one,
206435-98-5,
ZINC34974991,
AKOS009326817,
MCULE-6854338934,
NE21846,
Z1446855009,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.253g/mol |
| Monoisotopic Mass | 202.099g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number