Milrinone Impurity 4

CAT: 1299-RM-M121830-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M121830-02Size:25 mg

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CAS Number

6302-02-9

Synonyms

1- (pyridin-2-yl) propan-2-one

Molecular Formula

C8H9NO

Molecular Weight

135.17

Target Alternative Name

Milrinone

Product Name Synonym

1- (pyridin-2-yl) propan-2-one

Chemical Information

1-(Pyridin-2-yl)propan-2-one

CAS Number	6302-02-9
PubChem CID	95910
IUPAC Name	1-pyridin-2-ylpropan-2-one
Molecular Formula	C8H9NO
Molecular Weight	135.16
XLogP	0.6
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

CC(=O)CC1=CC=CC=N1

InChI

InChI=1S/C8H9NO/c1-7(10)6-8-4-2-3-5-9-8/h2-5H,6H2,1H3

InChIKey

TZTXTIBZSSSFDI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6302-02-9

CID: 95910

Formula: C8H9NO

MW: 135.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.16
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	135.068413911
Monoisotopic Mass	135.068413911
Topological Polar Surface Area	30 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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