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Carbidopa EP Impurity E

CAT: 1596-AR-C01368-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C01368-04Size:100 Units
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CAS Number
52514-63-3
Synonyms
(S) -methyl 3- (3,4-dihydroxyphenyl) -2-hydrazinyl-2-methylpropanoate; (S) - α-hydrazino-3,4-dihydroxy-α-methyl-benzene propanoic acid methyl ester; (S) -Carbidopa Methyl Ester ; Carbidopa Impurity 2
Molecular Formula
C11H16N2O4
Molecular Weight
240.26
API Name
Carbidopa

Chemical Information

Carbidopa EP Impurity E
CAS Number52514-63-3
PubChem CID90338893
IUPAC Namemethyl (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
Molecular FormulaC11H16N2O4
Molecular Weight240.26
XLogP0.4
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity274
SMILES
C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OC)NN
InChI
InChI=1S/C11H16N2O4/c1-11(13-12,10(16)17-2)6-7-3-4-8(14)9(15)5-7/h3-5,13-15H,6,12H2,1-2H3/t11-/m0/s1
InChIKey
IETYBXLXKYRFEN-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Carbidopa EP Impurity E
CAS: 52514-63-3
CID: 90338893
Formula: C11H16N2O4
MW: 240.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.26
XLogP30.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass240.11100700
Monoisotopic Mass240.11100700
Topological Polar Surface Area105 Ų
Heavy Atom Count17
Formal Charge0
Complexity274
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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