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Technical details about Tetrahydrofurfuryl Salicylate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 2217-35-8, Thurfyl salicylate, (tetrahydrofuran-2-yl)methyl 2-hydroxybenzoate, 4kuh7hz54v, Nsc-68484, Oxolan-2-ylmethyl 2-hydroxybenzoate
Molecular Formula
C12H14O4
Molecular Weight
222.24  g/mol
InChI Key
VNDLMXQTZJPTOR-UHFFFAOYSA-N
FDA UNII
4KUH7HZ54V

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
oxolan-2-ylmethyl 2-hydroxybenzoate
2.1.2 InChI
InChI=1S/C12H14O4/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9,13H,3-4,7-8H2
2.1.3 InChI Key
VNDLMXQTZJPTOR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(OC1)COC(=O)C2=CC=CC=C2O
2.2 Other Identifiers
2.2.1 UNII
4KUH7HZ54V
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2217-35-8

2. Thurfyl Salicylate

3. (tetrahydrofuran-2-yl)methyl 2-hydroxybenzoate

4. 4kuh7hz54v

5. Nsc-68484

6. Oxolan-2-ylmethyl 2-hydroxybenzoate

7. Tetrahydrofuran-2-ylmethyl Salicylate

8. Unii-4kuh7hz54v

9. Einecs 218-711-1

10. Salicylic Acid, Tetrahydrofurfuryl Ester

11. Schembl1605649

12. Dtxsid501043224

13. Nsc68484

14. Thurfyl Salicylate [who-dd]

15. Nsc 68484

16. Tetrahydro-2-furanylmethyl Salicylate

17. Akos015899692

18. Ft-0754004

19. 217t358

20. A925460

21. Salicylic Acid [(tetrahydrofuran)-2-yl]methyl Ester

22. Q27259924

23. Benzoic Acid, 2-hydroxy-, (tetrahydro-2-furanyl)methyl Ester

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 222.24 g/mol
Molecular Formula C12H14O4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass222.08920892 g/mol
Monoisotopic Mass222.08920892 g/mol
Topological Polar Surface Area55.8 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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