alpha,beta-Diacryloxypropionic acid
Basic information
- CAS
91828-79-4- Standard SMILES
C=CC(=O)OCC(OC(=O)C=C)C(=O)O- InChIKey
NJUKUKRGPZBUOO-UHFFFAOYSA-N- Molecular formula
- C9H10O6
- Average molar mass
- 214.17 g/mol
- Monoisotopic mass
- 214.04773803
Overview
sensitizing impurity in commercial acrylic acid; structure given in first source
Names & identifiers
- Preferred name
- alpha,beta-Diacryloxypropionic acid
- IUPAC
- 2,3-di(prop-2-enoyloxy)propanoic acid
- English name
- alpha,beta-Diacryloxypropionic acid
- Molecular formula
- C9H10O6
- Molecular weight
- 214.17
Names & synonyms
91828-79-4DAPSalpha,beta-Diacryloxypropionic acidRefChem:1110172,3-Bis(acryloyloxy)propanoic acidSCHEMBL6684854DTXSID909194952,3-Bis[(prop-2-enoyl)oxy]propanoic acid2-Propenoic acid, 1,2-dihydro-6-nitro-, trans-DIACRYLOXYPROPIONICACID2-Propenoic acid, 1-carboxy-1,2-ethanediyl ester (9CI)
Database identifiers
- CAS
91828-79-4- PubChem CID
- 146339
- DTXSID
DTXSID90919495
Properties
Computed structural properties
- XLogP
- 0.8
- 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
- 293
Physicochemical properties
- Boiling point
- 353.9 · 353.9±32.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 1.78 · 1.78±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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