| CAS Number | 150192-89-5 |
| Catalog Number | AG01BHJ9(AGN-PC-0Q4E2Q) |
| Chemical Name | Methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate |
| IUPAC Name | methyl 5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylate |
| InChI | InChI=1S/C13H14O3/c1-16-13(15)10-6-7-11-9(8-10)4-2-3-5-12(11)14/h6-8H,2-5H2,1H3 |
| InChI Key | AXDYGPIMKPWMQH-UHFFFAOYSA-N |
| MDL Number | MFCD26402045 |
| Molecular Formula | C13H14O3 |
| Molecular Weight | 218.2485 |
| SMILES | O=C(C1=CC=C2C(CCCCC2=O)=C1)OC |
| Synonyms | methyl 5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxylate,
150192-89-5,
SCHEMBL13727452,
AKOS027196495,
ZINC141946578,
Z2173924189,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.252g/mol |
| Monoisotopic Mass | 218.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number