Basic information
- CAS
59022-71-8- Standard SMILES
Cc1ccc(C)c2c1CC(=O)N2- InChIKey
LYOYXDJRQJTKJI-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 4,7-Dimethyl-1,3-dihydroindol-2-one
- IUPAC
- 4,7-dimethyl-1,3-dihydroindol-2-one
- English name
- 1,3-dihydro-4,7-diMethyl-2H-Indol-2-one
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
4,7-DIMETHYL-1,3-DIHYDROINDOL-2-ONESCHEMBL7527765AKOS0175165244,7-dimethylindolin-2-one1,3-dihydro-4,7-diMethyl-2H-Indol-2-one2H-Indol-2-one, 1,3-dihydro-4,7-dimethyl-
Database identifiers
- CAS
59022-71-8- PubChem CID
- 12297106
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 159 °C · 159°C
- Boiling point
- 287.51 °C · 287.51°C (rough estimate)
- Density
- 1.084 · 1.0840 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- pka
- 14.42 · 14.42±0.20(Predicted)
Chemistry & industry
Suppliers1 total
凯方医药科技有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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