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unii-9K8XR81MO8

unii-9K8XR81MO8

CAS: 100286-97-3

Formula: C15H15N3O4

SMILES: CC(O)C(O)=O.CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1

IUPAC: 2-hydroxypropanoic acid; 2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carbonitrile

InChI: InChI=1/C12H9N3O.C3H6O3/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8;1-2(4)3(5)6/h2-6H,1H3,(H,15,16);2,4H,1H3,(H,5,6)

Composition: C (59.80%), H (5.02%), N (13.95%), O (21.24%)

Molar Mass: 301.302

Atom Count: 37

Heavy Atom Count: 22

Properties
Properties
Common Names milrinone lactate in 5% dextrose in plastic container; milrinone lactate in dextrose 5% in plastic container; milrinone lactose in 5% dextrose; primacor in dextrose 5% in plastic container; unii-9K8XR81MO8
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 301.106255975
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VWUPWEAFIOQCGF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.14
Topological Polar Surface Area 65.78
Polarizability 22.15
Ring Count 2
Rotatable Bond Count 2

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