Basic information
- CAS
1197-20-2- Standard SMILES
CC(=O)C(=O)c1ccc(C)o1- InChIKey
CSILYJHAPLAXTQ-UHFFFAOYSA-N- Molecular formula
- C8H8O3
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.04734411
Overview
1-(5-Methyl-2-furanyl)-1,2-propanedione is an aromatic ketone.
Names & identifiers
- Preferred name
- 1-(5-Methyl-2-furanyl)-1,2-propanedione
- IUPAC
- 1-(5-methylfuran-2-yl)propane-1,2-dione
- English name
- 1-(5-methyl-2-furyl)propane-1,2-dione
- Molecular formula
- C8H8O3
- Molecular weight
- 152.14732
Names & synonyms
1-(5-Methyl-2-furanyl)-1,2-propanedione1-(5-Methyl-2-furyl)propane-1,2-dione1-(5-methylfuran-2-yl)propane-1,2-dioneEINECS 214-820-3UNII-1R75B93FCI1R75B93FCI1-(5-methyl-2-furyI)-1,2-propanedione1,2-Propanedione, 1-(5-methyl-2-furanyl)-DTXSID101525491,2-PROPANEDIONE, 1-(5-METHYL-2-FURYL)-RefChem:74580DTXCID3075040
Show more names
1-(5-methyl-furan-2-yl)-propane-1,2-dione
1197-20-2SCHEMBL11539386CHEBI:1736491-(5-methyluran-2-yl)propane-1,2-dioneNS00023875Q27252790
Database identifiers
- CAS
1197-20-2- PubChem CID
- 70968
- DTXSID
DTXSID10152549- ChEBI
CHEBI:173649- UNII
- 1R75B93FCI
- EC Number
- 214-820-3
- Nikkaji
- J217.036A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- LogP
- 0.818 · 0.818 (est)
- FDA UNII
- 1 R75B93FCI · 1R75B93FCI
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 1-(5-Methyl-2-furanyl)-1,2-propanedione is an aromatic ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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