Methyl 2-(3-hydroxybenzyl)-3-oxobutanoate
Basic information
- Standard SMILES
COC(=O)C(Cc1cccc(O)c1)C(C)=O- InChIKey
DMUOGYCUUQVHDC-UHFFFAOYSA-N- Molecular formula
- C12H14O4
- Average molar mass
- 222.24 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-hydroxybenzyl)-3-oxobutanoate
- IUPAC
- methyl 2-[(3-hydroxyphenyl)methyl]-3-oxobutanoate
Names & synonyms
SCHEMBL2564195DMUOGYCUUQVHDC-UHFFFAOYSA-Nmethyl 2-(3-hydroxybenzyl)-3-oxobutanoate
Database identifiers
- PubChem CID
- 67453530
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
2 records
Compound notes
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