Basic information
- Standard SMILES
COC(=O)C(C)C(O)C(=O)OC- InChIKey
RUUHUDXJDHEPBZ-UHFFFAOYSA-N- Molecular formula
- C7H12O5
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.06847348
Names & identifiers
- Preferred name
- Butanedioic acid, 2-hydroxy-3-methyl-, dimethyl ester
- IUPAC
- dimethyl 2-hydroxy-3-methylbutanedioate
Names & synonyms
SCHEMBL10039305RUUHUDXJDHEPBZ-UHFFFAOYSA-NDimethyl 2-hydroxy-3-methylsuccinate #Butanedioic acid, 2-hydroxy-3-methyl-, dimethyl ester
Database identifiers
- PubChem CID
- 546102
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
1 records
Compound notes
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