Basic information
- CAS
339029-02-6- Standard SMILES
O=C1c2ccccc2OCC12COC(c1cccc(C(F)(F)F)c1)OC2- InChIKey
ICWFJOPMJIHFMX-UHFFFAOYSA-N- Molecular formula
- C19H15F3O4
- Average molar mass
- 364.3 g/mol
Names & identifiers
- Preferred name
- 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one 3-(trifluoromethyl)benzaldehyde acetal
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-chromene]-4'-one
- English name
- 3,3-Bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one 3-(trifluoromethyl)benzaldehyde acetal
- Molecular formula
- C19H15F3O4
- Molecular weight
- 364.32
Names & synonyms
339029-02-63,3-Bis(hydroxymethyl)-2,3-dihydro-4H-chromen-4-one 3-(trifluoromethyl)benzaldehyde acetal6'-[3-(trifluoromethyl)phenyl]-2,4-dihydrospiro[1-benzopyran-3,3'-[1,5]dioxane]-4-one2-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-2H-chromene]-4'-oneMFCD00139950AKOS0051004498F-9122-[3-(trifluoromethyl)phenyl]spiro[1,3-dioxane-5,3'-chromane]-4'-oneSpiro[2H-1-benzopyran-3(4H),5'-[1,3]dioxan]-4-one, 2'-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
339029-02-6
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 469.7 · 469.7±45.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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