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Also known as: 87266-37-3, 1h-imidazole-1-acetic acid monohydrochloride, 1h-imidazole-1-acetic acid hydrochloride, 2-imidazol-1-ylacetic acid;hydrochloride, 1h-imidazole-1-acetic acid mono, hcl, 1h-imidazol-1-ylacetic acid hydrochloride
Molecular Formula
C5H7ClN2O2
Molecular Weight
162.57  g/mol
InChI Key
JKZJSYXGKHQHRA-UHFFFAOYSA-N

CAS 87266-37-3
1 2D Structure

CAS 87266-37-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-imidazol-1-ylacetic acid;hydrochloride
2.1.2 InChI
InChI=1S/C5H6N2O2.ClH/c8-5(9)3-7-2-1-6-4-7;/h1-2,4H,3H2,(H,8,9);1H
2.1.3 InChI Key
JKZJSYXGKHQHRA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CN(C=N1)CC(=O)O.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 87266-37-3

2. 1h-imidazole-1-acetic Acid Monohydrochloride

3. 1h-imidazole-1-acetic Acid Hydrochloride

4. 2-imidazol-1-ylacetic Acid;hydrochloride

5. 1h-imidazole-1-acetic Acid Mono, Hcl

6. 1h-imidazol-1-ylacetic Acid Hydrochloride

7. Acetic Acid, 2-(1h-imidazol-1-yl) Hydrochloride

8. 1h-imidazole-1-aceticacid,monohydrochloride

9. 1h-imidazole-1-acetic Acid, Monohydrochloride

10. 1h-imidazoleacetic Acid Hcl

11. Schembl1904485

12. Dtxsid80516159

13. Bcp18186

14. 1-imidazolylacetic Acid Hydrochloride

15. Mfcd00050629

16. Akos015892557

17. Ac-2878

18. Ac-6808

19. 2-(1-imidazolyl)acetic Acid Hydrochloride

20. 2-(1-imidazolyl) Acetic Acid Hydrochloride

21. Db-005096

22. 1h-imidazole-1-aceticacid, Monohydrochloride

23. 2-(1h-imidazol-1-yl)aceticacidhydrochloride

24. Cs-0043865

25. Ft-0601518

26. Ft-0670305

27. En300-38979

28. 266i373

29. (1h-imidazol-1-yl)acetic Acid--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 162.57 g/mol
Molecular Formula C5H7ClN2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass162.0196052 g/mol
Monoisotopic Mass162.0196052 g/mol
Topological Polar Surface Area55.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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