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Cefadroxil EP Impurity E (Purity >90%)

CAT: 1596-AR-C01644-02Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01644-02Size:250 Units
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CAS Number
147103-93-3
Synonyms
3- (Aminomethylene) -6- (4-hydroxyphenyl) piperazine-2,5-dione; Cefprozil EP Impurity C
Molecular Formula
C11H11N3O3
Molecular Weight
233.23
API Name
Cefadroxil

Chemical Information

3-(Aminomethylene)-6-(4-hydroxyphenyl)piperazine-2,5-dione
CAS Number147103-93-3
PubChem CID139032782
IUPAC Name(3E)-3-(aminomethylidene)-6-(4-hydroxyphenyl)piperazine-2,5-dione
Molecular FormulaC11H11N3O3
Molecular Weight233.22
XLogP0.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity359
SMILES
C1=CC(=CC=C1C2C(=O)N/C(=C/N)/C(=O)N2)O
InChI
InChI=1S/C11H11N3O3/c12-5-8-10(16)14-9(11(17)13-8)6-1-3-7(15)4-2-6/h1-5,9,15H,12H2,(H,13,17)(H,14,16)/b8-5+
InChIKey
OUXGVNPOYJAFHP-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of 3-(Aminomethylene)-6-(4-hydroxyphenyl)piperazine-2,5-dione
CAS: 147103-93-3
CID: 139032782
Formula: C11H11N3O3
MW: 233.22
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight233.22
XLogP30.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass233.08004122
Monoisotopic Mass233.08004122
Topological Polar Surface Area104 Ų
Heavy Atom Count17
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes