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Basic information
- Standard SMILES
COC(=O)CC(c1ccc(O)cc1)C(OC)OC- InChIKey
QMMOAMOHMPNKFF-UHFFFAOYSA-N- Molecular formula
- C13H18O5
- Average molar mass
- 254.28 g/mol
Names & identifiers
- Preferred name
- 3-(4-Hydroxyphenyl)-4,4-dimethoxy butyric acid methyl ester
- IUPAC
- methyl 3-(4-hydroxyphenyl)-4,4-dimethoxybutanoate
Names & synonyms
SCHEMBL3402025QMMOAMOHMPNKFF-UHFFFAOYSA-N3-(4-hydroxyphenyl)-4,4-dimethoxy butyric acid methyl ester
Database identifiers
- PubChem CID
- 57771503
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
1 records
Compound notes
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