CAS 104-57-4

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Also known as: 104-57-4, Benzyl methanoate, Formic acid, phenylmethyl ester, Phenylmethyl formate, Benzyl alcohol, formate, Formic acid, benzyl ester

Molecular Formula

C₈H₈O₂

Molecular Weight

136.15 g/mol

InChI Key

UYWQUFXKFGHYNT-UHFFFAOYSA-N

FDA UNII

79GJF97O0Y

formic acid benzyl ester is a natural product found in Mikania cordifolia, Vaccinium macrocarpon, and other organisms with data available.

1 2D Structure

CAS 104-57-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl formate

2.1.2 InChI

InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2

2.1.3 InChI Key

UYWQUFXKFGHYNT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)COC=O

2.2 Other Identifiers

2.2.1 UNII

79GJF97O0Y

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 104-57-4

2. Benzyl Methanoate

3. Formic Acid, Phenylmethyl Ester

4. Phenylmethyl Formate

5. Benzyl Alcohol, Formate

6. Formic Acid, Benzyl Ester

7. Formic Acid Benzyl Ester

8. Benzyl Formiat

9. Benzylester Kyseliny Mravenci

10. Fema No. 2145

11. Formic Acid-benzyl Ester

12. 79gjf97o0y

13. Nsc-8049

14. Ameisensaeurebenzylester

15. Carbobenzoxy Group

16. Nsc 8049

17. Einecs 203-214-4

18. Benzylester Kyseliny Mravenci [czech]

19. Brn 2041319

20. Unii-79gjf97o0y

21. Ai3-02951

22. Formic Acid Benzyl

23. (phenylmethyl) Methanoate

24. Carbanic Acid Benzyl Ester

25. Schembl503

26. Wln: Vho1r

27. Benzyl Formate [mi]

28. Benzyl Formate [fcc]

29. 4-06-00-02262 (beilstein Handbook Reference)

30. Benzyl Formate [fhfi]

31. Chebi:3057

32. Dtxsid5059298

33. Fema 2145

34. Formic Acid (phenylmethyl) Ester

35. Nsc8049

36. Benzyl Formate, Analytical Standard

37. Zinc1530244

38. Benzyl Formate, Natural, 97%, Fg

39. Mfcd00014128

40. Benzyl Formate, >=95%, Fcc, Fg

41. Akos015964923

42. Db04569

43. Ds-6364

44. Bzo

45. Cs-0128265

46. F0050

47. Ft-0622770

48. C05613

49. D70183

50. A801004

51. Q4083784

52. (s)-(-)-amino-2-(1-methoxy-1-methylethyl)pyrrolidine

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₈O₂
Molecular Weight	136.15 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	136.052429494 g/mol
Monoisotopic Mass	136.052429494 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	95.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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