CAS 97148-39-5

1 2D Structure

CAS 97148-39-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

azanium;(2Z)-2-(furan-2-yl)-2-methoxyiminoacetate

2.1.2 InChI

InChI=1S/C7H7NO4.H3N/c1-11-8-6(7(9)10)5-3-2-4-12-5;/h2-4H,1H3,(H,9,10);1H3/b8-6-;

2.1.3 InChI Key

ZWNSXPIVYODLLM-PHZXCRFESA-N

2.1.4 Canonical SMILES

CON=C(C1=CC=CO1)C(=O)[O-].[NH4+]

2.1.5 Isomeric SMILES

CO/N=C(/C1=CC=CO1)\C(=O)[O-].[NH4+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 97148-39-5

2. Azanium;(2z)-2-(furan-2-yl)-2-methoxyiminoacetate

3. Ammonium 2-furyl(methoxyimino)acetate

4. Cefuroxime Sodium Ep Impurity I Ammonium Salt ((z)-2-methoxyimino-2-furanacetic Acid Ammonium Salt)

5. 97148-89-5

6. Syn-methoxyiminofuranglycolic Acid, Ammonium Salt

7. Schembl5211578

8. Dtxsid301334946

9. Mfcd03791040

10. Akos015900509

11. Ac-2031

12. Ac-5581

13. Ammonium 2-(2-furyl)-2-methoxyimino-acetate

14. A845687

15. J-519586

16. Ammonium(z)-2-(furan-2-yl)-2-(methoxyimino)acetate

17. Syn-2-methoxyimino-2-(2-furyl)-acetic Acid Ammonium Salt

18. (alphaz)-alpha-(methoxyimino)-2-furanacetic Acid Ammonium Salt (1:1)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀N₂O₄
Molecular Weight	186.17 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	186.06405680 g/mol
Monoisotopic Mass	186.06405680 g/mol
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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