| CAS Number | 1250999-42-8 |
| Catalog Number | AG00HHYB(AGN-PC-0WG4PW) |
| Chemical Name | ethyl 10-oxo-11-azatricyclo[7.3.1.0²,⁷]trideca-2(7),3,5-triene-9-carboxylate |
| IUPAC Name | ethyl 10-oxo-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-9-carboxylate |
| InChI | InChI=1S/C15H17NO3/c1-2-19-14(18)15-7-10-5-3-4-6-12(10)11(8-15)9-16-13(15)17/h3-6,11H,2,7-9H2,1H3,(H,16,17) |
| InChI Key | VOJSVBDOUBJTDF-UHFFFAOYSA-N |
| MDL Number | MFCD18792140 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.3004 |
| SMILES | CCOC(=O)C12CC(CNC1=O)c1ccccc1C2 |
| Synonyms | Ethyl 4-Oxo-1,2,3,4,5,6-Hexahydro-1,5-Methanobenzo[D]Azocine-5-Carboxylate,
1250999-42-8,
MFCD18792140,
AM805420,
CS-0037037,
10-Oxo-11-aza-tricyclo[7.3.1.02,7]trideca-2,4,6-triene-9-carboxylic acid ethyl ester,
Ethyl 4-oxo-1,3,4,6-tetrahydro-1,5-methanobenzo[d]azocine-5(2H)-carboxylate,
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| Complexity | 395 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.305g/mol |
| Monoisotopic Mass | 259.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number