Eperisone Impurity 5

CAT: 1299-RM-E160505-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160505-02Size:25 mg

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

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CAS Number

27465-51-6

Synonyms

1- (4-ethylphenyl) propan-1-one

Molecular Formula

C11H14O

Molecular Weight

162.23

Target Alternative Name

Eperisone

Product Name Synonym

1- (4-ethylphenyl) propan-1-one

Chemical Information

1-(4-Ethylphenyl)propan-1-one

CAS Number	27465-51-6
PubChem CID	583750
IUPAC Name	1-(4-ethylphenyl)propan-1-one
Molecular Formula	C11H14O
Molecular Weight	162.23
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

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

InChI

InChI=1S/C11H14O/c1-3-9-5-7-10(8-6-9)11(12)4-2/h5-8H,3-4H2,1-2H3

InChIKey

VGQRIILEZYZAOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27465-51-6

CID: 583750

Formula: C11H14O

MW: 162.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	162.104465066
Monoisotopic Mass	162.104465066
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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