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Darolutamide Impurity 3

CAT: 1299-RM-D800003-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D800003-02Size:25 mg
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CAS Number
1401584-94-8
Synonyms
5- (1-hydroxyethyl) -1H-pyrazole-3-carboxylic acid
Molecular Formula
C6H8N2O3
Molecular Weight
156.14
Target Alternative Name
Darolutamide
Product Name Synonym
5- (1-hydroxyethyl) -1H-pyrazole-3-carboxylic acid

Chemical Information

5-(1-hydroxyethyl)-1H-pyrazole-3-carboxylic acid
CAS Number1401584-94-8
PubChem CID58810614
IUPAC Name5-(1-hydroxyethyl)-1H-pyrazole-3-carboxylic acid
Molecular FormulaC6H8N2O3
Molecular Weight156.14
XLogP-0.4
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity162
SMILES
CC(C1=CC(=NN1)C(=O)O)O
InChI
InChI=1S/C6H8N2O3/c1-3(9)4-2-5(6(10)11)8-7-4/h2-3,9H,1H3,(H,7,8)(H,10,11)
InChIKey
MCXMXJMPUWVLTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1-hydroxyethyl)-1H-pyrazole-3-carboxylic acid
CAS: 1401584-94-8
CID: 58810614
Formula: C6H8N2O3
MW: 156.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.14
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass156.05349212
Monoisotopic Mass156.05349212
Topological Polar Surface Area86.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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