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CAS 104-57-4 manufacturers and suppliers on PharmaCompass

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  • Chemistry
CAS 104-57-4
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 Weight 136.15 g/mol
Molecular Formula C8H8O2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass136.052429494 g/mol
Monoisotopic Mass136.052429494 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity95.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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