Basic information
- Standard SMILES
O=Cc1ccc(OCCCCC(=O)O)cc1- InChIKey
MMHYKIMZQSCJGC-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- 5-(4-Formylphenoxy)pentanoic acid
- IUPAC
- 5-(4-formylphenoxy)pentanoic acid
Names & synonyms
5-(4-formylphenoxy)pentanoic acid227084-28-8SCHEMBL2561110MMHYKIMZQSCJGC-UHFFFAOYSA-NF96983
Database identifiers
- PubChem CID
- 21462869
- Nikkaji
- J1.180.755K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
2 records
Compound notes
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