Basic information
- CAS
68535-62-6- Standard SMILES
CCOC(=O)c1cc(C(C)=O)ccc1OC- InChIKey
FODNAOGTHHOUAE-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.08920892
Names & identifiers
- Preferred name
- Benzoic acid, 5-acetyl-2-methoxy-, ethyl ester
- IUPAC
- ethyl 5-acetyl-2-methoxybenzoate
Names & synonyms
68535-62-6Ethyl 5-acetyl-2-methoxybenzoate5-Acetyl-2-methoxy-benzoic acid ethyl esterBenzoic acid, 5-acetyl-2-methoxy-, ethyl esterDTXSID201301360
Database identifiers
- CAS
68535-62-6- PubChem CID
- 97035919
- DTXSID
DTXSID201301360
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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