| CAS Number | 1443981-87-0 |
| Catalog Number | AG01A567(AGN-PC-0WO6EE) |
| Chemical Name | 2-ACETYL-2,3,4,5-TETRAHYDRO-1H-2-BENZAZEPIN-5-ONE |
| IUPAC Name | 2-acetyl-3,4-dihydro-1H-2-benzazepin-5-one |
| InChI | InChI=1S/C12H13NO2/c1-9(14)13-7-6-12(15)11-5-3-2-4-10(11)8-13/h2-5H,6-8H2,1H3 |
| InChI Key | JMCNRRRGVPKYNC-UHFFFAOYSA-N |
| MDL Number | MFCD24842805 |
| Molecular Formula | C12H13NO2 |
| Molecular Weight | 203.2371 |
| SMILES | CC(N1CC2=C(C=CC=C2)C(=O)CC1)=O |
| Synonyms | 2-acetyl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-one,
1443981-87-0,
MFCD24842805,
ZINC95347575,
AKOS026728171,
NE40792,
CS-0047294,
2-Acetyl-1,2,3,4-tetrahydro-5H-benzo[c]azepin-5-one,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.241g/mol |
| Monoisotopic Mass | 203.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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