Tapentadol Impurity 3

CAT: 1596-AR-T03994-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T03994-02Size:25 Units

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CAS Number

1352232-49-5

Synonyms

1- (3-Methoxyphenyl) -2-methylprop-2-en-1-one

Molecular Formula

C11H12O2

Molecular Weight

176.22

API Name

Tapentadol

Chemical Information

1-(3-Methoxyphenyl)-2-methyl-2-propenone

CAS Number	1352232-49-5
PubChem CID	79189592
IUPAC Name	1-(3-methoxyphenyl)-2-methylprop-2-en-1-one
Molecular Formula	C11H12O2
Molecular Weight	176.21
XLogP	2.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	208

SMILES

CC(=C)C(=O)C1=CC(=CC=C1)OC

InChI

InChI=1S/C11H12O2/c1-8(2)11(12)9-5-4-6-10(7-9)13-3/h4-7H,1H2,2-3H3

InChIKey

BFZSNOGPLIZMBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1352232-49-5

CID: 79189592

Formula: C11H12O2

MW: 176.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.21
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	176.083729621
Monoisotopic Mass	176.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	208
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-T03993-01	Tapentadol Impurity 1
AR-T03446-01	Tapentadol EP Impurity A
AR-T03810-01	Tapentadol EP Impurity C
AR-T03480-01	Tapentadol EP Impurity A HCl
AR-T03460-01	Tapentadol EP Impurity D
AR-T03447-01	Tapentadol impurity B CRS
AR-T03449-01	Tapentadol EP Impurity E
AR-T03992-01	N-Nitroso Tapentadol Impurity 1
AR-T03811-01	Tapentadol EP Impurity A HCl Salt
AR-T03441-01	Tapentadol EP Impurity C Hydrochoride

Catalog	Name
RM-T327104-01	Tapentadol Impurity 4; Tapentadol EP Impurity C
RM-T327105-01	Tapentadol Impurity 5; Tapentadol EP Impurity D
CS-O-56625	Tapentadol EP Impurity A
RM-T327112-01	Tapentadol Impurity 12
RM-T327107-01	Tapentadol Impurity 7
CS-EO-02318	Tapentadol Impurity 1
CS-EG-01104	Tapentadol impurity A (Y0002113)
CS-O-46020	Tapentadol Impurity A Hydrochloride
RM-T327103-01	Tapentadol Impurity 3
CS-DE-01710	Tapentadol Impurity A phosphate