| CAS Number | 216574-84-4 |
| Catalog Number | AG01A5G9(AGN-PC-0WO46L) |
| Chemical Name | tert-butyl N-(3-oxo-2,3-dihydro-1H-inden-1-yl)carbamate |
| IUPAC Name | tert-butyl N-(3-oxo-1,2-dihydroinden-1-yl)carbamate |
| InChI | InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-11-8-12(16)10-7-5-4-6-9(10)11/h4-7,11H,8H2,1-3H3,(H,15,17) |
| InChI Key | CQKDQPYPULKMBT-UHFFFAOYSA-N |
| MDL Number | MFCD24842896 |
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.2897 |
| SMILES | CC(OC(NC1C2=C(C=CC=C2)C(=O)C1)=O)(C)C |
| Synonyms | tert-butyl N-(3-oxo-2,3-dihydro-1H-inden-1-yl)carbamate,
216574-84-4,
AKOS026727453,
NE32770,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.294g/mol |
| Monoisotopic Mass | 247.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number