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Overview of CAS 1104083-23-9

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4CH-011682
PharmaCompass
  • Chemistry
4CH-011682
Also known as: Tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate, 1104083-23-9, 3-hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester, 1-azetidinecarboxylic acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl ester, Amot0388, Schembl2280402
Molecular Formula
C9H17NO3
Molecular Weight
187.239  g/mol
InChI Key
DBJZEDYSQQXOOF-UHFFFAOYSA-N

1 2D Structure

4CH-011682

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate
2.1.2 InChI
InChI=1S/C9H17NO3/c1-8(2,3)13-7(11)10-5-9(4,12)6-10/h12H,5-6H2,1-4H3
2.1.3 InChI Key
DBJZEDYSQQXOOF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Tert-butyl 3-hydroxy-3-methylazetidine-1-carboxylate

2. 1104083-23-9

3. 3-hydroxy-3-methyl-azetidine-1-carboxylic Acid Tert-butyl Ester

4. 1-azetidinecarboxylic Acid, 3-hydroxy-3-methyl-,1,1-dimethylethyl Ester

5. Amot0388

6. Schembl2280402

7. Dtxsid50716462

8. Dbjzedysqqxoof-uhfffaoysa-n

9. Molport-023-160-286

10. Ks-000003yv

11. Mfcd16037112

12. Zinc72294354

13. Akos014316246

14. Ds-4509

15. Mcule-8690374806

16. Mp-0607

17. Pb18150

18. Ak110047

19. Am802924

20. Cj-21690

21. Sc-45779

22. Ab0068690

23. Aj-120969

24. Kb-260467

25. St1010014

26. 4ch-011682

27. Z3883

28. Tert-butyl3-hydroxy-3-methylazetidine-1-carboxylate

29. I14-20247

30. Z1335657801

31. 1-azetidinecarboxylic Acid,3-hydroxy-3-methyl-,1,1

2.3 Create Date
2011-12-30
3 Chemical and Physical Properties
Molecular Weight 187.239 g/mol
Molecular Formula C9H17NO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass187.121 g/mol
Monoisotopic Mass187.121 g/mol
Topological Polar Surface Area49.8 A^2
Heavy Atom Count13
Formal Charge0
Complexity213
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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