2-Furanacetic acid, 4-((5-(carboxymethyl)-2,5-dihydro-5-methyl-2-oxo-3-furanyl)methyl)-3-chloro-2,5-dihydro-2-methyl-5-oxo-
Basic information
- CAS
174509-40-1- Standard SMILES
CC1(CC(=O)O)C=C(CC2=C(Cl)C(C)(CC(=O)O)OC2=O)C(=O)O1- InChIKey
NUUPWPAZEKFKCS-UHFFFAOYSA-N- Molecular formula
- C15H15ClO8
- Average molar mass
- 358.73 g/mol
- Monoisotopic mass
- 358.0455451
Names & identifiers
- Preferred name
- 2-Furanacetic acid, 4-((5-(carboxymethyl)-2,5-dihydro-5-methyl-2-oxo-3-furanyl)methyl)-3-chloro-2,5-dihydro-2-methyl-5-oxo-
- IUPAC
- 2-[4-[[5-(carboxymethyl)-4-chloro-5-methyl-2-oxofuran-3-yl]methyl]-2-methyl-5-oxofuran-2-yl]acetic acid
Names & synonyms
174509-40-12-Furanacetic acid, 4-((5-(carboxymethyl)-2,5-dihydro-5-methyl-2-oxo-3-furanyl)methyl)-3-chloro-2,5-dihydro-2-methyl-5-oxo-
Database identifiers
- CAS
174509-40-1- PubChem CID
- 10808366
- Nikkaji
- J740.302J
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 706
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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