Basic information
- CAS
5975-73-5- Standard SMILES
C=CCOCC(O)COC(=O)/C=C\C(=O)OCC(O)COCC=C- InChIKey
OUYZUCACSQXEMC-AATRIKPKSA-N- Molecular formula
- C16H24O8
- Average molar mass
- 344.36 g/mol
- Monoisotopic mass
- 344.14711772
Names & identifiers
- Preferred name
- Bis(3-allyloxy-2-hydroxypropyl) fumarate
- IUPAC
- bis(2-hydroxy-3-prop-2-enoxypropyl) (Z)-but-2-enedioate
- English name
- Fumaric acid bis[3-(allyloxy)-2-hydroxypropyl] ester
- Molecular formula
- C16H24O8
- Molecular weight
- 344.36
Names & synonyms
5975-73-5BRN 2421245Bis(3-allyloxy-2-hydroxypropyl) fumarateFUMARIC ACID, BIS(3-ALLYLOXY-2-HYDROXYPROPYL) ESTERBis-3-alloxy-2-hydroxypropyl-1-ester kyseliny fumarove [Czech]Di-(3-allyloxy-2-hydroxypropyl)ester kyseliny fumarove [Czech]Di-(3-allyloxy-2-hydroxypropyl)ester kyseliny fumaroveBis-3-alloxy-2-hydroxypropyl-1-ester kyseliny fumaroveFumaric acid bis[3-(allyloxy)-2-hydroxypropyl] esterbis(2-hydroxy-3-prop-2-enoxypropyl) (E)-but-2-enedioateFumaric acid, bis[3-(allyloxy)-2-hydroxypropyl] ester (7CI,8CI)
Database identifiers
- CAS
5975-73-5- PubChem CID
- 6433454
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 399.46 °C · 399.46°C (rough estimate)
- Density
- 1.2408 · 1.2408 (rough estimate)
- refractive index
- 1.443 · 1.4430 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 9710 mg/kg 28ZPAK -,100,72
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 9710 mg/kg 28ZPAK -,100,72
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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