Basic information
- CAS
14646-15-2- Standard SMILES
COc1cc(C=C2CN(C)C(=O)C2=O)ccc1O- InChIKey
IRSSPCVUYLQFJE-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.0844579
Names & identifiers
- Preferred name
- 2,3-Pyrrolidinedione, 4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-methyl-
- IUPAC
- 4-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dione
Names & synonyms
2,3-Pyrrolidinedione, 4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-methyl-NSC 152104DTXSID50658012,3-Pyrrolidinedione, 1-methyl-4-vanilliylidene-2,3-Pyrrolidinedione, 4-((4-hydroxy-3-methoxyphenyl)methylene)-1-methyl-RefChem:442631DTXCID10347672,3-Pyrrolidinedione, 1-methyl-4-vanilliylidene-(8CI)14646-15-24-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-methylpyrrolidine-2,3-dioneMLS003106371CHEMBL2138455
Show more names
SCHEMBL11444293IRSSPCVUYLQFJE-UHFFFAOYSA-NSMR001821277
Database identifiers
- CAS
14646-15-2- PubChem CID
- 84572
- DTXSID
DTXSID5065801- ChEMBL
CHEMBL2138455- EC Number
- 633-934-8
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 390
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,3-Pyrrolidinedione, 4-[(4-hydroxy-3-methoxyphenyl)methylene]-1-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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