Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt
Basic information
- CAS
102988-48-7- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1.[Ca+2]- InChIKey
YPJPOGFCVOCWHM-UHFFFAOYSA-N- Molecular formula
- C12H15CaClO3+2
- Average molar mass
- 282.77 g/mol
- Monoisotopic mass
- 282.0335629
Names & identifiers
- Preferred name
- Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium salt
- IUPAC
- calcium ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Names & synonyms
102988-48-7Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, ethyl ester, calcium saltRefChem:1096851Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate calcium salt
Database identifiers
- CAS
102988-48-7- PubChem CID
- 21114902
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 2
- Complexity
- 232
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…