(E)-3-Isobutylidenephthalide
Basic information
- CAS
56014-69-8- Standard SMILES
CC(C)C=C1OC(=O)c2ccccc21- InChIKey
LYSNVWBBICAAMS-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- (E)-3-Isobutylidenephthalide
- IUPAC
- 3-(2-methylpropylidene)-2-benzofuran-1-one
Names & synonyms
(E)-3-Isobutylidenephthalide3-(2-METHYLPROPYLIDENE)-2-BENZOFURAN-1-ONE88542-70-51(3H)-Isobenzofuranone,3-(2-methylpropylidene)-56014-69-83-(2-Methylpropylidene)-1(3H)-isobenzofuranone3-Isobutyliden-phthalidSCHEMBL7208096LYSNVWBBICAAMS-UHFFFAOYSA-NDTXSID401249253NS000541453-(2-Methylpropylidene)-2-benzofuran-1(3H)-one
Database identifiers
- CAS
56014-69-8、88542-70-5- PubChem CID
- 91979
- DTXSID
DTXSID401249253- EC Number
- 259-944-9、289-423-1
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3-(2-methylpropylidene)-, (3E)-: INACTIVE
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Compound notes
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