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Cefixime Impurity 14

CAT: 1596-AR-C06598-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C06598-01Size:10 Units
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CAS Number
84080-68-2
Synonyms
Tert-butyl (Z) -2- ((2-methoxy-2-oxoethoxy) imino) -3-oxobutanoate
Molecular Formula
C11H17NO6
Molecular Weight
259.26
API Name
Cefixime

Chemical Information

(Z)-2-[(2-Methoxy-2-oxoethoxy)imino]-3-oxobutanoic acid 1,1-dimethylethyl ester
CAS Number84080-68-2
PubChem CID88469670
IUPAC Nametert-butyl (2E)-2-(2-methoxy-2-oxoethoxy)imino-3-oxobutanoate
Molecular FormulaC11H17NO6
Molecular Weight259.26
XLogP1.4
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity366
SMILES
CC(=O)/C(=N\OCC(=O)OC)/C(=O)OC(C)(C)C
InChI
InChI=1S/C11H17NO6/c1-7(13)9(10(15)18-11(2,3)4)12-17-6-8(14)16-5/h6H2,1-5H3/b12-9+
InChIKey
JDPTWNBRKKNMHW-FMIVXFBMSA-N
Chemical Structure
2D Structure
2D structure of (Z)-2-[(2-Methoxy-2-oxoethoxy)imino]-3-oxobutanoic acid 1,1-dimethylethyl ester
CAS: 84080-68-2
CID: 88469670
Formula: C11H17NO6
MW: 259.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.26
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass259.10558726
Monoisotopic Mass259.10558726
Topological Polar Surface Area91.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity366
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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