CAS 5669-19-2

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2 End Use APIs
6 Related Intermediates

Chemistry

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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

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 Formula	C₁₀H₁₀O₂
Molecular Weight	162.18 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	162.068079557 g/mol
Monoisotopic Mass	162.068079557 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	178
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