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CAS 152922-71-9 manufacturers and suppliers on PharmaCompass

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4CH-019242
Also known as: 152922-71-9, 2-(1-(hydroxymethyl)cyclopropyl)acetonitrile, 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile, [1-(hydroxymethyl)cyclopropyl]acetonitrile, Cyclopropaneacetonitrile, 1-(hydroxymethyl)-, (1-hydroxymethyl-cyclopropyl)-acetonitrile
Molecular Formula
C6H9NO
Molecular Weight
111.14  g/mol
InChI Key
WYOMLUMUVAPMKE-UHFFFAOYSA-N

1 2D Structure

4CH-019242

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[1-(hydroxymethyl)cyclopropyl]acetonitrile
2.1.2 InChI
InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
2.1.3 InChI Key
WYOMLUMUVAPMKE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC1(CC#N)CO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 152922-71-9

2. 2-(1-(hydroxymethyl)cyclopropyl)acetonitrile

3. 2-[1-(hydroxymethyl)cyclopropyl]acetonitrile

4. [1-(hydroxymethyl)cyclopropyl]acetonitrile

5. Cyclopropaneacetonitrile, 1-(hydroxymethyl)-

6. (1-hydroxymethyl-cyclopropyl)-acetonitrile

7. Mfcd08235273

8. 1-(cyanomethyl)-1-(hydroxymethyl)cyclopropane

9. Schembl642970

10. Dtxsid90433348

11. Bcp12563

12. Zinc16125367

13. Akos013154494

14. Ac-1173

15. Am84486

16. Sb83927

17. (1-hydroxymethylcyclopropyl)acetonitrile

18. 1-(hydroxymethyl)cyclopropaneactetonitrile

19. Sy017671

20. Ts-01430

21. Cs-0044943

22. Ft-0659853

23. En300-92089

24. 2-[1-(hydroxymethyl)-cyclopropyl]-acetonitrile

25. I10037

26. 2-[1-(hydroxymethyl)cycloprop-1-yl]ethanonitrile

27. 922h719

28. J-503557

29. 1-(hydroxymethyl)cyclopropaneacetonitrile, Aldrichcpr

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 111.14 g/mol
Molecular Formula C6H9NO
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass111.068413911 g/mol
Monoisotopic Mass111.068413911 g/mol
Topological Polar Surface Area44 Ų
Heavy Atom Count8
Formal Charge0
Complexity129
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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