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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Cyclohex-3-en-1-ylmethanol, 1679-51-2, 4-(hydroxymethyl)cyclohexene, 3-cyclohexene-1-carbinol, 1,2,3,6-tetrahydrobenzyl alcohol, Cyclohexen-4-ylmethanol

Molecular Formula

C₇H₁₂O

Molecular Weight

112.17 g/mol

InChI Key

VEIYJWQZNGASMA-UHFFFAOYSA-N

FDA UNII

94R6Y1S77F

1 2D Structure

3-Cyclohexene-1-methanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

cyclohex-3-en-1-ylmethanol

2.1.2 InChI

InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h1-2,7-8H,3-6H2

2.1.3 InChI Key

VEIYJWQZNGASMA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC(CC=C1)CO

2.2 Other Identifiers

2.2.1 UNII

94R6Y1S77F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cyclohex-3-en-1-ylmethanol

2. 1679-51-2

3. 4-(hydroxymethyl)cyclohexene

4. 3-cyclohexene-1-carbinol

5. 1,2,3,6-tetrahydrobenzyl Alcohol

6. Cyclohexen-4-ylmethanol

7. 1-(hydroxymethyl)-3-cyclohexene

8. 1,2,3,6-tetrahydrobenzylalcohol

9. (cyclohex-3-enyl)methanol

10. 94r6y1s77f

11. Mfcd00001574

12. Nsc-158554

13. Cyclohex-3-ene-1-methanol

14. Unii-94r6y1s77f

15. 1,2,5,6-tetrahydrobenzyl Alcohol

16. Einecs 216-847-6

17. Nsc158554

18. 3-cyclohexenylmethanol

19. Nsc 158554

20. 3-cyclohexene Methanol

21. 3-cyclohexen-1-methanol

22. Ai3-24787

23. 4-hydroxymethylcyclohexene

24. Dsstox_cid_24600

25. Dsstox_rid_80343

26. Dsstox_gsid_44600

27. 1-hydroxymethyl-3-cyclohexene

28. 3-cyclohexen-1-ylmethanol #

29. Schembl628623

30. (cyclohex-3-en-1-yl)methanol

31. 3,4-cyclohexenylmethanol

32. Chembl3188995

33. Dtxsid0044600

34. 3-cyclohexene-1-methanol, 98%

35. (+/-)-3 Cyclohexene-1-methanol

36. Baa67951

37. Tox21_302637

38. Ac7844

39. Akos009031413

40. (cyclohex-1-en-4-yl)methanol

41. Cs-w013655

42. Ncgc00256634-01

43. Sy036929

44. Cas-1679-51-2

45. Ft-0615564

46. Ft-0618721

47. En300-19922

48. A810925

49. W-107906

50. Q27271700

51. (cyclohex-3-enyl)methanol 100 Microg/ml In Acetonitrile

52. Z1201023038

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₂O
Molecular Weight	112.17 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	112.088815002 g/mol
Monoisotopic Mass	112.088815002 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	86.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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API Reference Price

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ACTIVE PHARMA INGREDIENTS

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$ 71

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