Basic information
- CAS
83451-46-1- Standard SMILES
C=CC(=C)C1(O)c2ccccc2C(=O)N1C- InChIKey
UVKFHBYPISACEJ-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- 3-Buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
- IUPAC
- 3-buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-one
Names & synonyms
83451-46-13-buta-1,3-dien-2-yl-3-hydroxy-2-methylisoindol-1-oneNSC365348DTXSID90320840NSC-3653483-(Buta-1,3-dien-2-yl)-3-hydroxy-2-methyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
83451-46-1- PubChem CID
- 339288
- DTXSID
DTXSID90320840
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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