Close
4
pipeline-prospector-insert-v1
X

Overview

Client Email Product
CAS 1895-97-2
PharmaCompass
  • Chemistry
CAS 1895-97-2
Also known as: 1199-77-5, 2-methyl-3-phenylacrylic acid, (2e)-2-methyl-3-phenylprop-2-enoic acid, A-methylcinnamic acid, (2e)-2-methyl-3-phenylacrylic acid, .alpha.-methylcinnamic acid
Molecular Formula
C10H10O2
Molecular Weight
162.188  g/mol
InChI Key
XNCRUNXWPDJHGV-BQYQJAHWSA-N

1 2D Structure

CAS 1895-97-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(E)-2-methyl-3-phenylprop-2-enoic acid
2.1.2 InChI
InChI=1S/C10H10O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)/b8-7+
2.1.3 InChI Key
XNCRUNXWPDJHGV-BQYQJAHWSA-N
2.1.4 Canonical SMILES
CC(=CC1=CC=CC=C1)C(=O)O
2.1.5 Isomeric SMILES
C/C(=C\C1=CC=CC=C1)/C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1199-77-5

2. 2-methyl-3-phenylacrylic Acid

3. (2e)-2-methyl-3-phenylprop-2-enoic Acid

4. A-methylcinnamic Acid

5. (2e)-2-methyl-3-phenylacrylic Acid

6. .alpha.-methylcinnamic Acid

7. Xncrunxwpdjhgv-bqyqjahwsa-n

8. 2-propenoic Acid, 2-methyl-3-phenyl-

9. 1895-97-2

10. Alpha-methyl Cinnamic Acid

11. Ak114525

12. St078878

13. (e)-2-methyl-3-phenylprop-2-enoic Acid

14. Ae-562/42007298

15. Cinnamic Acid, .alpha.-methyl-

16. Einecs 214-847-0

17. Pubchem8190

18. 2-propenoic Acid, 2-methyl-3-phenyl-, (2e)-

19. Ai3-23408

20. Ac1lcv1e

21. Alpha Methyl Cinnamic Acid

22. Alpha-methylbenzeneacrylic Acid

23. Alpha-methylcinnamic Acid, 99%

24. Xncrunxwpdjhgv-bqyqjahwsa-

25. Molport-000-514-588

26. Molport-009-673-222

27. Bdbm220119

28. E-2-methyl-3-phenylpropenoic Acid

29. Albb-025649

30. Zinc4521699

31. Zx-an024163

32. (e)-2-methyl-3-phenylacrylic Acid

33. 2-methyl-3-phenyl-2-propenoic Acid

34. 3-phenyl-2-methylprop-2-enoic Acid

35. Hts000649

36. Mfcd00002652

37. Sbb017509

38. Stl169372

39. E-alpha-methyl-3-phenylpropenoic Acid

40. Akos002272560

41. Akos025310598

42. Bs-3877

43. Cs-w001011

44. Fch2258008

45. Fch3483555

46. Fch4155494

47. Rtr-003320

48. Us9271961, Alpha-mehtylcinnamic Acid

49. Aj-51448

50. An-48860

51. Bbv-34553319

52. Cc-24003

53. Kb-74614

54. L946

55. Sc-65523

56. (e)-2-methyl-3-phenyl-prop-2-enoic Acid

57. Ab0014971

58. Ax8011832

59. Tr-003320

60. St24028090

61. M-2990

62. 199m775

63. F0001-0326

64. 4lv

65. Inchi=1/c10h10o2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7h,1h3,(h,11,12)/b8-7+

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 162.188 g/mol
Molecular Formula C10H10O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass162.068 g/mol
Monoisotopic Mass162.068 g/mol
Topological Polar Surface Area37.3 A^2
Heavy Atom Count12
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty

Advertise With Us

Advertise With Us