CAS 152922-71-9

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1 End Use APIs
31 Related Intermediates

Chemistry

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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

CAS 152922-71-9

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 Formula	C₆H₉NO
Molecular Weight	111.14 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	111.068413911 g/mol
Monoisotopic Mass	111.068413911 g/mol
Topological Polar Surface Area	44 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	129
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