| CAS Number | 206436-00-2 |
| Catalog Number | AG01A09V(AGN-PC-0DZI23) |
| Chemical Name | 2H,3H,4H,5H,7H,8H,9H,10H-naphtho[2,3-b]oxepin-5-one |
| IUPAC Name | 3,4,7,8,9,10-hexahydro-2H-benzo[h][1]benzoxepin-5-one |
| InChI | InChI=1S/C14H16O2/c15-13-6-3-7-16-14-9-11-5-2-1-4-10(11)8-12(13)14/h8-9H,1-7H2 |
| InChI Key | LEJNFCIXJPWKIU-UHFFFAOYSA-N |
| MDL Number | MFCD14659034 |
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.2756 |
| SMILES | O=C1C2=C(C=C3C(=C2)CCCC3)OCCC1 |
| Synonyms | 2H,3H,4H,5H,7H,8H,9H,10H-naphtho[2,3-b]oxepin-5-one,
206436-00-2,
ZINC42417462,
AKOS010658794,
MCULE-6213097513,
NE43255,
Z1446874116,
|
| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.28g/mol |
| Monoisotopic Mass | 216.115g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number