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Cefadroxil Impurity 33

CAT: 1299-RM-C042433-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C042433-02Size:25 mg
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CAS Number
26531-82-8
Synonyms
Methyl (S) -2-amino-2- (4-hydroxyphenyl) acetate
Molecular Formula
C9H11NO3
Molecular Weight
181.19
Target Alternative Name
Cefadroxil
Product Name Synonym
Methyl (S) -2-amino-2- (4-hydroxyphenyl) acetate

Chemical Information

Methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate
CAS Number26531-82-8
PubChem CID10932044
IUPAC Namemethyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP0.5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
COC(=O)[C@H](C1=CC=C(C=C1)O)N
InChI
InChI=1S/C9H11NO3/c1-13-9(12)8(10)6-2-4-7(11)5-3-6/h2-5,8,11H,10H2,1H3/t8-/m0/s1
InChIKey
SZBDOFWNZVHVGR-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Methyl (2S)-2-amino-2-(4-hydroxyphenyl)acetate
CAS: 26531-82-8
CID: 10932044
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area72.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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