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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

Tetrahydrofurfuryl Salicylate

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 Formula	C₁₂H₁₄O₄
Molecular Weight	222.24 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	222.08920892 g/mol
Monoisotopic Mass	222.08920892 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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