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Chemistry

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Also known as: 110-20-3, Acetonesemicarbazone, (propan-2-ylideneamino)urea, 2-(propan-2-ylidene)hydrazinecarboxamide, Acetone, semicarbazone, Hydrazinecarboxamide, 2-(1-methylethylidene)-
Molecular Formula
C4H9N3O
Molecular Weight
115.13  g/mol
InChI Key
HQDAJGNZGNZGCO-UHFFFAOYSA-N

Acetone Semicarbazone
1 2D Structure

Acetone Semicarbazone

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(propan-2-ylideneamino)urea
2.1.2 InChI
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
2.1.3 InChI Key
HQDAJGNZGNZGCO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=NNC(=O)N)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 110-20-3

2. Acetonesemicarbazone

3. (propan-2-ylideneamino)urea

4. 2-(propan-2-ylidene)hydrazinecarboxamide

5. Acetone, Semicarbazone

6. Hydrazinecarboxamide, 2-(1-methylethylidene)-

7. 2-propanone, Semicarbazone

8. (isopropylideneamino)urea

9. Nsc 456

10. 2-propanone Semicarbazone

11. Einecs 203-746-7

12. Brn 0970110

13. Ai3-00507

14. Wln: Zvmnuy1 & 1

15. [(propan-2-ylidene)amino]urea

16. 1-(propan-2-ylideneamino)urea

17. Nsc456

18. Schembl6219184

19. Dtxsid9059383

20. Schembl20707884

21. Nsc-456

22. Str04088

23. Zinc3921319

24. Mfcd00014785

25. Akos009143193

26. Cs-w011237

27. 2-(1-methylethylidene)hydrazinecarboxamide

28. A0058

29. Ft-0621804

30. E78190

31. A802165

32. W-108694

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 115.13 g/mol
Molecular Formula C4H9N3O
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass115.074561919 g/mol
Monoisotopic Mass115.074561919 g/mol
Topological Polar Surface Area67.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity115
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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