3-(3-Hydroxypropoxy)propyl benzoate--furan-2,5-dione (1/1)
Basic information
- CAS
103458-14-6- Standard SMILES
O=C(OCCCOCCCO)c1ccccc1.O=C1C=CC(=O)O1- InChIKey
ZKJULZTWRQDFOX-UHFFFAOYSA-N- Molecular formula
- C17H20O7
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12090297
Names & identifiers
- Preferred name
- 3-(3-Hydroxypropoxy)propyl benzoate--furan-2,5-dione (1/1)
- IUPAC
- furan-2,5-dione;3-(3-hydroxypropoxy)propyl benzoate
- English name
- 2,5-Furandione, polymer with oxybis[propanol], benzoate
- Molecular formula
- C17H20O7
- Molecular weight
- 336.3365
Names & synonyms
DTXSID309084293-(3-Hydroxypropoxy)propyl benzoate--furan-2,5-dione (1/1)2,5-Furandione, polymer with oxybis[propanol], benzoate
Database identifiers
- CAS
103458-14-6- PubChem CID
- 44147384
- DTXSID
DTXSID30908429
Properties
Computed structural properties
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,5-Furandione, polymer with oxybis[propanol], benzoate (103458-14-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Suppliers
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Related reactions
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Compound notes
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