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Basic information
- Standard SMILES
COc1ccc(CCC(=O)O)c(Cl)c1OC- InChIKey
ZLKSDKXZUPXVQN-UHFFFAOYSA-N- Molecular formula
- C11H13ClO4
- Average molar mass
- 244.67 g/mol
- Monoisotopic mass
- 244.0502366
Names & identifiers
- Preferred name
- 3-(2-Chloro-3,4-dimethoxyphenyl)propanoic acid
- IUPAC
- 3-(2-chloro-3,4-dimethoxyphenyl)propanoic acid
Names & synonyms
910300-36-63-(2-chloro-3,4-dimethoxyphenyl)propanoic acid3-(2-chloro-3,4-dimethoxyphenyl)propanoicacidSCHEMBL3967417ZLKSDKXZUPXVQN-UHFFFAOYSA-NAKOS012943467CS-0459495EN300-19669043-(2-chloro-3,4-dimethoxy-phenyl)propanoic acid3-(2-Chloro-3,4-dimethoxy-phenyl)-propionic acid
Database identifiers
- PubChem CID
- 57799795
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
3 records
Compound notes
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