| CAS Number | 1314406-17-1 |
| Catalog Number | AG01BB69 |
| Chemical Name | tert-butyl (2,2-dimethyl-4-oxochroman-6-yl)carbamate |
| IUPAC Name | tert-butyl N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)carbamate |
| InChI | InChI=1S/C16H21NO4/c1-15(2,3)21-14(19)17-10-6-7-13-11(8-10)12(18)9-16(4,5)20-13/h6-8H,9H2,1-5H3,(H,17,19) |
| InChI Key | CSHUZZOEMAXPRY-UHFFFAOYSA-N |
| MDL Number | MFCD22574017 |
| Molecular Formula | C16H21NO4 |
| Molecular Weight | 291.3422 |
| SMILES | CC(OC(NC1=CC2=C(OC(CC2=O)(C)C)C=C1)=O)(C)C |
| Synonyms | 1314406-17-1,
TERT-BUTYL (2,2-DIMETHYL-4-OXOCHROMAN-6-YL)CARBAMATE,
6-(Boc-amino)-2,2-dimethylchroman-4-one,
tert-butyl N-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)carbamate,
SCHEMBL11904033,
MFCD22574017,
ZINC91692041,
AKOS027330154,
AS-38408,
SY201584,
MFCD22574017 (95%),
t-Butyl (2,2-dimethyl-4-oxochroman-6-yl)carbamate,
Z2111524625,
|
| Complexity | 425 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.347g/mol |
| Monoisotopic Mass | 291.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number