Basic information
- Standard SMILES
O=C(O)C=Cc1ccc(OC2CCCCO2)cc1Cl- InChIKey
ZBFQGJUBOTVADZ-UHFFFAOYSA-N- Molecular formula
- C14H15ClO4
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.0658866
Names & identifiers
- Preferred name
- 2-Chloro-4-(2-tetrahydropyranyloxy)cinnamic acid
- IUPAC
- 3-[2-chloro-4-(oxan-2-yloxy)phenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL9030579ZBFQGJUBOTVADZ-UHFFFAOYSA-N2-chloro-4-(2-tetrahydropyranyloxy)cinnamic acid
Database identifiers
- PubChem CID
- 54538134
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
3 records
Compound notes
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