Milrinone Impurity G

CAT: 1299-RM-M121807-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M121807-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

80047-38-7

Synonyms

2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxylic acid

Molecular Formula

C12H10N2O3

Molecular Weight

230.22

Target Alternative Name

Milrinone

Product Name Synonym

2-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridine]-5-carboxylic acid

Chemical Information

5-Decyano 5-Carboxymilrinone

CAS Number	80047-38-7
PubChem CID	12873361
IUPAC Name	6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxylic acid
Molecular Formula	C12H10N2O3
Molecular Weight	230.22
XLogP	0.4
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	417

SMILES

CC1=C(C=C(C(=O)N1)C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C12H10N2O3/c1-7-9(8-2-4-13-5-3-8)6-10(12(16)17)11(15)14-7/h2-6H,1H3,(H,14,15)(H,16,17)

InChIKey

TWACACMBUVITDN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80047-38-7

CID: 12873361

Formula: C12H10N2O3

MW: 230.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.22
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	230.06914219
Monoisotopic Mass	230.06914219
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes