Eperisone Impurity 34

CAT: 1299-RM-E160534-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160534-02Size:25 mg

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CAS Number

1806363-55-2

Synonyms

1- (3,5-diethylphenyl) propan-1-one

Molecular Formula

C13H18O

Molecular Weight

190.29

Target Alternative Name

Eperisone

Product Name Synonym

1- (3,5-diethylphenyl) propan-1-one

Chemical Information

1-(3,5-Diethylphenyl)-1-propanone

CAS Number	1806363-55-2
PubChem CID	166641818
IUPAC Name	1-(3,5-diethylphenyl)propan-1-one
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	3.7
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	174

SMILES

CCC1=CC(=CC(=C1)C(=O)CC)CC

InChI

InChI=1S/C13H18O/c1-4-10-7-11(5-2)9-12(8-10)13(14)6-3/h7-9H,4-6H2,1-3H3

InChIKey

ZBQVWVVHIUCVCJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1806363-55-2

CID: 166641818

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	174
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