Loxoprofen Impurity 136

CAT: 1299-RM-L241762-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L241762-01Size:10 mg

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CAS Number

24242-97-5

Synonyms

1- (4-isobutoxyphenyl) ethan-1-one

Molecular Formula

C12H16O2

Molecular Weight

192.26

Target Alternative Name

Loxoprofen

Product Name Synonym

1- (4-isobutoxyphenyl) ethan-1-one

Chemical Information

1-(4-Isobutoxyphenyl)ethanone

CAS Number	24242-97-5
PubChem CID	2063678
IUPAC Name	1-[4-(2-methylpropoxy)phenyl]ethanone
Molecular Formula	C12H16O2
Molecular Weight	192.25
XLogP	3.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	179

SMILES

CC(C)COC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C12H16O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13/h4-7,9H,8H2,1-3H3

InChIKey

ACRYHNAGXRLMAC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24242-97-5

CID: 2063678

Formula: C12H16O2

MW: 192.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.25
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	179
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