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Basic information
- Standard SMILES
CCOc1ccccc1C(=O)OC(C)C- InChIKey
DXFQVUJFXYGTNP-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Propan-2-yl 2-ethoxybenzoate
- IUPAC
- propan-2-yl 2-ethoxybenzoate
Names & synonyms
188754-41-8propan-2-yl 2-ethoxybenzoateIsopropyl 2-ethoxybenzoateNSC405377Benzoic acid, 2-ethoxy-, 1-methylethyl ester (9CI)SCHEMBL10324240AKOS008948360NSC-405377
Database identifiers
- PubChem CID
- 346972
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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