Basic information
- CAS
401894-65-3- Standard SMILES
C=C(C)C(=O)OCC(=O)OCCC(=O)O- InChIKey
UOYDZZHZYWMZKN-UHFFFAOYSA-N- Molecular formula
- C9H12O6
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.0633881
Names & identifiers
- Preferred name
- 3-({[(2-Methylacryloyl)oxy]acetyl}oxy)propanoic acid
- IUPAC
- 3-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoic acid
Names & synonyms
401894-65-33-({[(2-Methylacryloyl)oxy]acetyl}oxy)propanoic acidDTXSID607859273-({[(2-Methylprop-2-enoyl)oxy]acetyl}oxy)propanoic acid
Database identifiers
- CAS
401894-65-3- PubChem CID
- 71362292
- DTXSID
DTXSID60785927
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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