Basic information
- CAS
802306-25-8- Standard SMILES
CC1=Nc2ccc(C)cc2C2=C(N1)C(=O)OC2- InChIKey
OHCHZSNLBOOJMQ-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2
- Average molar mass
- 228.25 g/mol
- Monoisotopic mass
- 228.08987763
Names & identifiers
- Preferred name
- 5,9-Dimethyl-1,6-dihydrofuro[3,4-d][1,3]benzodiazepin-3-one
- IUPAC
- 5,9-dimethyl-1,6-dihydrofuro[3,4-d][1,3]benzodiazepin-3-one
- English name
- 3H-Furo[3,4-d][1,3]benzodiazepin-3-one,1,4-dihydro-5,9-dimethyl-(8CI)
- Molecular formula
- C13H12N2O2
- Molecular weight
- 228.25
Names & synonyms
802306-25-83h-furo[3,4-d][1,3]benzodiazepin-3-one,1,4-dihydro-5,9-dimethyl-3H-Furo[3,4-d][1,3]benzodiazepin-3-one, 1,4-dihydro-5,9-dimethyl-3H-Furo[3,4-d][1,3]benzodiazepin-3-one,1,4-dihydro-5,9-dimethyl-(8CI)
Database identifiers
- CAS
802306-25-8- PubChem CID
- 21818859
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Boiling point
- 532.4 · 532.4±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 4.7 · 4.70±0.20(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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