3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
Basic information
- CAS
23271-86-5- Standard SMILES
CC(O)COC(=O)C(O)CC(=O)O- InChIKey
QNZQFOOFJVIUHB-UHFFFAOYSA-N- Molecular formula
- C7H12O6
- Average molar mass
- 192.17 g/mol
- Monoisotopic mass
- 192.0633881
Names & identifiers
- Preferred name
- 3-Hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
- IUPAC
- 3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid
Names & synonyms
3-hydroxy-4-(2-hydroxypropoxy)-4-oxobutanoic acid23271-86-5SCHEMBL669418DTXSID80274929
Database identifiers
- CAS
23271-86-5- PubChem CID
- 31798
- DTXSID
DTXSID80274929
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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