Basic information
- CAS
53856-91-0- Standard SMILES
O=C1CCC(CCl)(C(=O)O)O1- InChIKey
ZINLNVALYGXEBE-UHFFFAOYSA-N- Molecular formula
- C6H7ClO4
- Average molar mass
- 178.57 g/mol
- Monoisotopic mass
- 178.0032864
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5-oxooxolane-2-carboxylic acid
- IUPAC
- 2-(chloromethyl)-5-oxooxolane-2-carboxylic acid
Names & synonyms
53856-91-02-(chloromethyl)-5-oxooxolane-2-carboxylic acidNSC290950DTXSID40315004NSC-290950
Database identifiers
- CAS
53856-91-0- PubChem CID
- 324702
- DTXSID
DTXSID40315004
Properties
Computed structural properties
- XLogP
- 0.2
- 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
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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