1-(2-Methoxyphenyl) butanedioate
Basic information
- CAS
39560-36-6- Standard SMILES
COc1ccccc1OC(=O)CCC(=O)O- InChIKey
UXHQIVNQUPTAGU-UHFFFAOYSA-N- Molecular formula
- C11H12O5
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.06847348
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl) butanedioate
- IUPAC
- 4-(2-methoxyphenoxy)-4-oxobutanoic acid
Names & synonyms
1-(2-Methoxyphenyl) butanedioateSCHEMBL3361878DTXSID00130129539560-36-64-(2-methoxyphenoxy)-4-oxobutanoic acid
Database identifiers
- CAS
39560-36-6- PubChem CID
- 19971950
- DTXSID
DTXSID001301295
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 251
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Compound notes
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