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CAS 1443-80-7
Also known as: 1443-80-7, 4'-cyanoacetophenone, Benzonitrile, 4-acetyl-, P-cyanoacetophenone, 4-cyanoacetophenone, P-acetylbenzonitrile
Molecular Formula
C9H7NO
Molecular Weight
145.16  g/mol
InChI Key
NLPHXWGWBKZSJC-UHFFFAOYSA-N

1 2D Structure

CAS 1443-80-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-acetylbenzonitrile
2.1.2 InChI
InChI=1S/C9H7NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5H,1H3
2.1.3 InChI Key
NLPHXWGWBKZSJC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC=C(C=C1)C#N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1443-80-7

2. 4'-cyanoacetophenone

3. Benzonitrile, 4-acetyl-

4. P-cyanoacetophenone

5. 4-cyanoacetophenone

6. P-acetylbenzonitrile

7. 4-acetyl-benzonitrile

8. Benzonitrile, P-acetyl-

9. Mfcd00001825

10. 4-cyanophenyl Methyl Ketone

11. 4-acetylbenznitrile

12. Paracyanoacetophenone

13. Einecs 215-885-0

14. Para-cyanoacetophenone

15. 4-cyano Acetophenone

16. 4-acetyl Benzonitrile

17. 1-acetyl-4-benzonitrile

18. P-cyanoacetophenone-[d4]

19. 4-acetylbenzonitrile, 99%

20. Schembl163209

21. Chembl255115

22. Dtxsid10162668

23. Zinc167039

24. Act08047

25. Str03197

26. Stk063185

27. Akos000118782

28. Am84403

29. Cs-w001929

30. Ac-26106

31. Sy012989

32. Db-011334

33. Ft-0618294

34. A21002

35. Ae-562/40237167

36. W-108156

37. Q63398019

38. F1905-7162

39. 4'-cyanoacetophenonele;paracyanoacetophenone;benzonitrile,4-acetyl-

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 145.16 g/mol
Molecular Formula C9H7NO
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass145.052763847 g/mol
Monoisotopic Mass145.052763847 g/mol
Topological Polar Surface Area40.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity193
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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1443-80-7
Ravuconazole
Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutica...
Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spectrum of intermediates, including advance intermediates, cGMP, & non-GMP intermediates. We represent GMP and WHO-certified manufacturers of APIs & advanced intermediates, offering Distribution & Agency services with rigorous selection processes & regular audits to guarantee top-quality products. Moreover, our global Strategic Sourcing capabilities provide high-quality ingredients & performance chemicals to the Pharmaceuticals & Specialty Chemical Industries.
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MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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