Basic information
- Standard SMILES
COC(=O)C(CC(=O)O)Cc1cccc(OC)c1- InChIKey
MPOWGDQKFKZHBD-UHFFFAOYSA-N- Molecular formula
- C13H16O5
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.09977361
Names & identifiers
- Preferred name
- 3-Carbomethoxy-4-(3-methoxyphenyl)butanoic acid
- IUPAC
- 4-methoxy-3-[(3-methoxyphenyl)methyl]-4-oxobutanoic acid
Names & synonyms
SCHEMBL9022613MPOWGDQKFKZHBD-UHFFFAOYSA-N3-carbomethoxy-4-(3-methoxyphenyl)butanoic acid
Database identifiers
- PubChem CID
- 10658447
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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