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Levosimendan Impurity 10

CAT: 1596-AR-L07091-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L07091-02Size:25 Units
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CAS Number
134678-47-0
Molecular Formula
C11H12N2O2
Molecular Weight
204.23
API Name
Levosimendan

Chemical Information

(R)-6-(4-hydroxyphenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CAS Number134678-47-0
PubChem CID136077204
IUPAC Name(4R)-3-(4-hydroxyphenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Molecular FormulaC11H12N2O2
Molecular Weight204.22
XLogP1.1
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity280
SMILES
C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)O
InChI
InChI=1S/C11H12N2O2/c1-7-6-10(15)12-13-11(7)8-2-4-9(14)5-3-8/h2-5,7,14H,6H2,1H3,(H,12,15)/t7-/m1/s1
InChIKey
UENUKLJEZNFGQU-SSDOTTSWSA-N
Chemical Structure
2D Structure
2D structure of (R)-6-(4-hydroxyphenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
CAS: 134678-47-0
CID: 136077204
Formula: C11H12N2O2
MW: 204.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight204.22
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass204.089877630
Monoisotopic Mass204.089877630
Topological Polar Surface Area61.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity280
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