Edaravone Impurity 8

CAT: 1596-AR-E09303-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E09303-02Size:25 Units

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

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CAS Number

27349-35-5

Synonyms

5-Methoxy-3-methyl-1-phenyl-1H-pyrazole

Molecular Formula

C11H12N2O

Molecular Weight

188.23

API Name

Edaravone

Chemical Information

5-Methoxy-3-methyl-1-phenyl-1H-pyrazole

CAS Number	27349-35-5
PubChem CID	13434128
IUPAC Name	5-methoxy-3-methyl-1-phenylpyrazole
Molecular Formula	C11H12N2O
Molecular Weight	188.23
XLogP	2.6
Topological Polar Surface Area	27.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	180

SMILES

CC1=NN(C(=C1)OC)C2=CC=CC=C2

InChI

InChI=1S/C11H12N2O/c1-9-8-11(14-2)13(12-9)10-6-4-3-5-7-10/h3-8H,1-2H3

InChIKey

MTLFMNFAALESGJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27349-35-5

CID: 13434128

Formula: C11H12N2O

MW: 188.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.23
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	188.094963011
Monoisotopic Mass	188.094963011
Topological Polar Surface Area	27.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	180
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