3-Methoxybutyl 4-methoxybenzoate
Basic information
- CAS
6640-73-9- Standard SMILES
COc1ccc(C(=O)OCCC(C)OC)cc1- InChIKey
XGIHCPWVDFMFIK-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- 3-Methoxybutyl 4-methoxybenzoate
- IUPAC
- 3-methoxybutyl 4-methoxybenzoate
Names & synonyms
3-methoxybutyl 4-methoxybenzoate6640-73-9NSC17920DTXSID20280680NSC-17920AKOS033238787Z1291721016
Database identifiers
- CAS
6640-73-9- PubChem CID
- 226933
- DTXSID
DTXSID20280680
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 221
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Compound notes
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