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2D Structure
Also known as: Cis-anethol, Dsstox_cid_86, Dsstox_rid_75355, Dsstox_gsid_20086, Nauli ''gum'', P-(1-propenyl)anisole
Molecular Formula
C10H12O
Molecular Weight
148.20  g/mol
InChI Key
RUVINXPYWBROJD-UHFFFAOYSA-N

p-propenylanisole is a natural product found in Erucaria microcarpa, Anemopsis californica, and other organisms with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-methoxy-4-prop-1-enylbenzene
2.1.2 InChI
InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3
2.1.3 InChI Key
RUVINXPYWBROJD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC=CC1=CC=C(C=C1)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Cis-anethol

2. Dsstox_cid_86

3. Dsstox_rid_75355

4. Dsstox_gsid_20086

5. Nauli ''gum''

6. P-(1-propenyl)anisole

7. Cas-104-46-1

8. 4-(1-propenyl)anisole

9. 1-(p-methoxyphenyl)propene

10. Chebi:2716

11. Mfcd00009284

12. 1-methoxy-4-[1-propenyl]benzene #

13. 1-methoxy-4-prop-1-enylbenzene

14. Ncgc00091493-01

15. Spectrum_001629

16. Specplus_000644

17. Spectrum2_000538

18. Spectrum3_001109

19. Spectrum4_001950

20. Kbiogr_002362

21. Kbioss_002109

22. 1-methoxy-4-propenyl-benzene

23. Divk1c_006740

24. Spbio_000555

25. Chembl3185908

26. Dtxsid4020086

27. Kbio1_001684

28. Kbio2_002109

29. Kbio2_004677

30. Kbio2_007245

31. Kbio3_002038

32. 1-(1-propenyl)-4-methoxybenzene

33. Tox21_111139

34. Tox21_202001

35. Tox21_111139_1

36. Ncgc00091493-09

37. Ncgc00259550-01

38. Sy019737

39. Ft-0600040

40. Ft-0623935

41. Ft-0686721

42. Q27105777

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 148.20 g/mol
Molecular Formula C10H12O
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass148.088815002 g/mol
Monoisotopic Mass148.088815002 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1