Propanedioic acid, [(3-methoxyphenyl)methyl]methyl-, diethyl ester
Basic information
- CAS
16123-38-9- Standard SMILES
CCOC(=O)C(C)(Cc1cccc(OC)c1)C(=O)OCC- InChIKey
QORRWJMAMSZOQH-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
- Monoisotopic mass
- 294.1467238
Names & identifiers
- Preferred name
- Propanedioic acid, [(3-methoxyphenyl)methyl]methyl-, diethyl ester
- IUPAC
- diethyl 2-[(3-methoxyphenyl)methyl]-2-methylpropanedioate
Names & synonyms
16123-38-9DTXSID30484899Propanedioic acid, [(3-methoxyphenyl)methyl]methyl-, diethyl esterDiethyl [(3-methoxyphenyl)methyl](methyl)propanedioate
Database identifiers
- CAS
16123-38-9- PubChem CID
- 12290488
- DTXSID
DTXSID30484899- Nikkaji
- J3.747.835K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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