Dimethachlon Impurity 3

CAT: 1596-AR-D07119-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D07119-02Size:25 Units

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CAS Number

1204-36-0

Molecular Formula

C10H9NO3

Molecular Weight

191.19

API Name

Dimethachlon

Chemical Information

1-(3-Hydroxyphenyl)pyrrolidine-2,5-dione

CAS Number	1204-36-0
PubChem CID	6951385
IUPAC Name	1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
Molecular Formula	C10H9NO3
Molecular Weight	191.18
XLogP	0
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	248

SMILES

C1CC(=O)N(C1=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C10H9NO3/c12-8-3-1-2-7(6-8)11-9(13)4-5-10(11)14/h1-3,6,12H,4-5H2

InChIKey

JKQLQZKMBVUJCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1204-36-0

CID: 6951385

Formula: C10H9NO3

MW: 191.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.18
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	191.058243149
Monoisotopic Mass	191.058243149
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	248
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

Catalog	Name
AR-D07127-01	Dimethachlon Impurity 8
AR-D07126-01	Dimethachlon Impurity 7
AR-D07124-01	Dimethachlon Impurity 2
AR-D07123-01	Dimethachlon Impurity 1
AR-D07125-01	Dimethachlon Impurity 4 Disodium Salt
AR-D07122-01	Dimethachlon
AR-D07121-01	Dimethachlon Impurity 6 Sodium Salt
AR-D07120-01	Dimethachlon Impurity 5 Disodium Salt
AR-N01599-01	Nintedanib Impurity 3 (Intedanib Impurity 3)
AR-D02360-01	Doxofylline Impurity 3 (Theophylline Impurity 4)

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