2,5-Dihydro-2-methyl-5-oxo-2-furanacetic acid
Basic information
- CAS
70441-90-6- Standard SMILES
COC(=O)CC1C=CC(=O)O1- InChIKey
ZEMKELNRIHJVTH-UHFFFAOYSA-N- Molecular formula
- C7H8O4
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.04225873
Names & identifiers
- Preferred name
- 2,5-Dihydro-2-methyl-5-oxo-2-furanacetic acid
- IUPAC
- methyl 2-(5-oxo-2H-furan-2-yl)acetate
- English name
- methyl 2-(5-oxo-2H-furan-2-yl)acetate
- Molecular formula
- C7H8O4
- Molecular weight
- 0
Names & synonyms
70441-90-62,5-Dihydro-2-methyl-5-oxo-2-furanacetic acid2-Furanacetic acid, 2,5-dihydro-2-methyl-5-oxo-SCHEMBL21485110DTXSID50990649Methyl (5-oxo-2,5-dihydrofuran-2-yl)acetatemethyl 2-(5-oxo-2H-furan-2-yl)acetate
Database identifiers
- CAS
70441-90-6- PubChem CID
- 155376
- DTXSID
DTXSID50990649
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
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Related reactions
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Compound notes
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