2-(3,5-Dimethoxyphenyl)propanoic acid
Basic information
- CAS
35051-94-6- Standard SMILES
COc1cc(OC)cc(C(C)C(=O)O)c1- InChIKey
DBMMMCYUFZQFIC-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 2-(3,5-Dimethoxyphenyl)propanoic acid
- IUPAC
- 2-(3,5-dimethoxyphenyl)propanoic acid
Names & synonyms
2-(3,5-dimethoxyphenyl)propanoic acid35051-94-6SCHEMBL490400SCHEMBL27753005DBMMMCYUFZQFIC-UHFFFAOYSA-NMFCD11036880AKOS017554135SY402108EN300-1703601
Database identifiers
- CAS
35051-94-6- PubChem CID
- 17829487
- EC Number
- 190-636-6
- Nikkaji
- J3.663.589D
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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