Basic information
- CAS
60296-02-8- Standard SMILES
COc1ccccc1OCC(=O)O.[Ca+2]- InChIKey
BWWKYXIHYDLOLR-UHFFFAOYSA-N- Molecular formula
- C9H10CaO4+2
- Average molar mass
- 222.25 g/mol
- Monoisotopic mass
- 222.0204996
Names & identifiers
- Preferred name
- Calcium (o-methoxyphenoxy)acetate
- IUPAC
- calcium 2-(2-methoxyphenoxy)acetic acid
Names & synonyms
Calcium (o-methoxyphenoxy)acetate60296-02-8EINECS 262-147-9DTXSID30209044RefChem:122745DTXCID50131535262-147-9
Database identifiers
- CAS
60296-02-8- PubChem CID
- 3085178
- DTXSID
DTXSID30209044- EC Number
- 262-147-9
Properties
Computed structural properties
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 2
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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