3-[4-(4-Hydroxybutoxy)phenyl]prop-2-enoic acid
Basic information
- CAS
334001-50-2- Standard SMILES
O=C(O)C=Cc1ccc(OCCCCO)cc1- InChIKey
NXDILGARGPQYLL-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 3-[4-(4-Hydroxybutoxy)phenyl]prop-2-enoic acid
- IUPAC
- 3-[4-(4-hydroxybutoxy)phenyl]prop-2-enoic acid
Names & synonyms
3-[4-(4-HYDROXYBUTOXY)PHENYL]PROP-2-ENOIC ACID334001-50-2SCHEMBL7607106DTXSID60741700NXDILGARGPQYLL-UHFFFAOYSA-N4-(4-Hydroxybutyloxy)cinnamic Acid
Database identifiers
- CAS
334001-50-2- PubChem CID
- 70143545
- DTXSID
DTXSID60741700
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
1 records
Compound notes
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