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Venlafaxine Impurity 32

CAT: 1299-RM-V120632-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V120632-01Size:10 mg
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CAS Number
2641915-09-3
Synonyms
2- (cyclohex-1-en-1-yl) -2- (4-methoxyphenyl) acetonitrile
Molecular Formula
C15H17NO
Molecular Weight
227.3
Target Alternative Name
Venlafaxine
Product Name Synonym
2- (cyclohex-1-en-1-yl) -2- (4-methoxyphenyl) acetonitrile

Chemical Information

Venlafaxine Impurity 32
CAS Number2641915-09-3
PubChem CID175112453
IUPAC Name2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)acetonitrile
Molecular FormulaC15H17NO
Molecular Weight227.30
XLogP3.3
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity317
SMILES
COC1=CC=C(C=C1)C(C#N)C2=CCCCC2
InChI
InChI=1S/C15H17NO/c1-17-14-9-7-13(8-10-14)15(11-16)12-5-3-2-4-6-12/h5,7-10,15H,2-4,6H2,1H3
InChIKey
KXZYZZHKDCKZLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Venlafaxine Impurity 32
CAS: 2641915-09-3
CID: 175112453
Formula: C15H17NO
MW: 227.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.30
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.131014166
Monoisotopic Mass227.131014166
Topological Polar Surface Area33 Ų
Heavy Atom Count17
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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