Basic information
- Standard SMILES
O=C(O)CC1(Cl)C=CC(=O)O1- InChIKey
WGZZDRVKIXVYEI-UHFFFAOYSA-N- Molecular formula
- C6H5ClO4
- Average molar mass
- 176.55 g/mol
- Monoisotopic mass
- 175.9876363
Names & identifiers
- Preferred name
- (2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid
- IUPAC
- 2-(2-chloro-5-oxofuran-2-yl)acetic acid
Names & synonyms
(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid(2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acidCHEBI:17337RefChem:10496692-(2-chloro-5-oxofuran-2-yl)acetic acidQ27102326
Database identifiers
- PubChem CID
- 35
- ChEBI
CHEBI:17337- Nikkaji
- J316.368G
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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