Basic information
- CAS
23894-53-3- Standard SMILES
Cc1onc2c1C(=O)CCC2- InChIKey
UISDKZZWOVNTBM-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-one
- IUPAC
- 3-methyl-6,7-dihydro-5H-2,1-benzoxazol-4-one
- English name
- 2,1-Benzisoxazol-4(5H)-one,6,7-dihydro-3-methyl-(8CI,9CI)
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
2,1-Benzisoxazol-4(5H)-one, 6,7-dihydro-3-methyl-2,1-Benzisoxazol-4(5H)-one,6,7-dihydro-3-methyl-(8CI,9CI)
Database identifiers
- CAS
23894-53-3- PubChem CID
- 130026737
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 181
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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