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Overview of CAS 29006-02-8

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4CH-017220
PharmaCompass
  • Chemistry
4CH-017220
Also known as: 4-methoxybutanoic acid, 29006-02-8, Butanoic acid, 4-methoxy-, Vrrcyifzbsjbat-uhfffaoysa-n, Butyric acid, 4-methoxy-, Einecs 249-366-5
Molecular Formula
C5H10O3
Molecular Weight
118.132  g/mol
InChI Key
VRRCYIFZBSJBAT-UHFFFAOYSA-N

1 2D Structure

4CH-017220

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-methoxybutanoic acid
2.1.2 InChI
InChI=1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7)
2.1.3 InChI Key
VRRCYIFZBSJBAT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCCC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4-methoxybutanoic Acid

2. 29006-02-8

3. Butanoic Acid, 4-methoxy-

4. Vrrcyifzbsjbat-uhfffaoysa-n

5. Butyric Acid, 4-methoxy-

6. Einecs 249-366-5

7. 4-methoxy-butyric Acid

8. Ac1l3nrd

9. Ac1q4fnc

10. Ac1q5wcu

11. 4-methoxybutanoic Acid #

12. Butanoic Acid, 4-methoxy

13. Butanoic Acid,4-methoxy-

14. 4-(methyloxy)butanoic Acid

15. Schembl82451

16. Ctk4g2557

17. Ks-00000pit

18. Dtxsid70183218

19. Molport-004-347-156

20. Zinc5997802

21. Anw-71736

22. Mfcd00029855

23. Akos000190525

24. Cs-w001021

25. Mcule-3165881573

26. Ne23898

27. Aj-55444

28. Ak-76729

29. Bs-12840

30. Da-16849

31. Kb-98213

32. Sc-51378

33. Kb-242586

34. St2405866

35. Tc-160481

36. 4ch-017220

37. Ft-0703853

38. En300-43031

39. J-017352

40. Z818727246

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 118.132 g/mol
Molecular Formula C5H10O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass118.063 g/mol
Monoisotopic Mass118.063 g/mol
Topological Polar Surface Area46.5 A^2
Heavy Atom Count8
Formal Charge0
Complexity70.1
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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