Basic information
- CAS
186774-61-8- Standard SMILES
CC(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2- InChIKey
YXBYIHUUFANHGG-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- N-(2,2-Dimethyl-4-oxochroman-6-YL)acetamide
- IUPAC
- N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamide
- English name
- N-(2,2-Dimethyl-4-oxochroman-6-yl)acetamide
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
N-(2,2-DIMETHYL-4-OXOCHROMAN-6-YL)ACETAMIDE186774-61-8MFCD19380257N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)acetamideSCHEMBL11903830N-(2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-6-yl)acetamideAKOS016374756TS-03305CS-0362026N-(2,2-dimethyl-4-oxo-chroman-6-yl)acetamideF753329Acetamide, N-(3,4-dihydro-2,2-dimethyl-4-oxo-2H-1-benzopyran-6-yl)-
Database identifiers
- CAS
186774-61-8- PubChem CID
- 15307695
- Nikkaji
- J907.689A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Boiling point
- 440 · 440.0±45.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.40(Predicted)
Chemistry & industry
Suppliers5 total
ASTATECH[email protected]
OTAVA-BB[email protected]
007Chemicals B.V.[email protected]
MATRIX[email protected]
ATLANTIC-RES[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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