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Also known as: 5669-19-2, 2-benzylprop-2-enoic acid, 2-benzyl acrylic acid, 62479-28-1, 2-methylene-3-phenylpropanoic acid, 2-methylene-3-phenylpropionic acid
Molecular Formula
C10H10O2
Molecular Weight
162.18  g/mol
InChI Key
RYNDYESLUKWOEE-UHFFFAOYSA-N
FDA UNII
EWV0S2AX5B

CAS 5669-19-2
1 2D Structure

CAS 5669-19-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-benzylprop-2-enoic acid
2.1.2 InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,11,12)
2.1.3 InChI Key
RYNDYESLUKWOEE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=C(CC1=CC=CC=C1)C(=O)O
2.2 Other Identifiers
2.2.1 UNII
EWV0S2AX5B
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5669-19-2

2. 2-benzylprop-2-enoic Acid

3. 2-benzyl Acrylic Acid

4. 62479-28-1

5. 2-methylene-3-phenylpropanoic Acid

6. 2-methylene-3-phenylpropionic Acid

7. Ewv0s2ax5b

8. Nsc-192640

9. Chembl3799698

10. Mfcd00854174

11. 2-benzylprop-2-enoic Acid (2-benzylacrylic Acid)

12. Benzyl Acrylic Acid

13. Benzylacrylic Acid

14. A-benzylacrylic Acid

15. Nsc192640

16. 2-benzyl-acrylic Acid

17. Alpha-benzylacrylic Acid

18. 2-(benzyl)acrylic Acid

19. 2-propenoic Acid,(phenylmethyl)- (9ci)

20. Unii-ewv0s2ax5b

21. Schembl41907

22. Racecadotril Impurity E [ep]

23. 2-(phenylmethyl)propenoic Acid

24. Dtxsid60972138

25. 2-(phenylmethyl)-2-propenoic Acid

26. 2-(phenylmethyl)prop-2-enoic Acid

27. Alpha-methylenebenzenepropanoic Acid

28. Act00329

29. Bcp22631

30. Zinc1732823

31. Bdbm50167963

32. Akos006283947

33. Benzenepropanoic Acid, Alpha-methylene-

34. Cs-w005088

35. Ps-4007

36. 2-propenoic Acid,(phenylmethyl)-(9ci)

37. Sy006039

38. Db-005190

39. B3409

40. Ft-0601023

41. Ft-0655339

42. Racecadotril Impurity E [ep Impurity]

43. F13740

44. 669b192

45. A831146

46. Benzenepropanoic Acid, .alpha.-methylene-

47. J-508116

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 162.18 g/mol
Molecular Formula C10H10O2
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass162.068079557 g/mol
Monoisotopic Mass162.068079557 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity178
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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