Basic information
- CAS
820237-59-0- Standard SMILES
CCCOc1ccc(C=O)c(OCCO)c1C- InChIKey
PBOJSDAADHUOPD-UHFFFAOYSA-N- Molecular formula
- C13H18O4
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.12050905
Names & identifiers
- Preferred name
- Benzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-
- IUPAC
- 2-(2-hydroxyethoxy)-3-methyl-4-propoxybenzaldehyde
Names & synonyms
820237-59-02-(2-hydroxyethoxy)-3-methyl-4-propoxybenzaldehydeBenzaldehyde, 2-(2-hydroxyethoxy)-3-methyl-4-propoxy-SCHEMBL5444761DTXSID70462333
Database identifiers
- CAS
820237-59-0- PubChem CID
- 11322366
- DTXSID
DTXSID70462333
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…