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Venlafaxine Impurity 33

CAT: 1299-RM-V120633-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V120633-01Size:10 mg
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CAS Number
121821-92-9
Synonyms
2- (1-hydroxycyclohexyl) -2- (4-methoxyphenyl) acetic acid
Molecular Formula
C15H20O4
Molecular Weight
264.32
Target Alternative Name
Venlafaxine
Product Name Synonym
2- (1-hydroxycyclohexyl) -2- (4-methoxyphenyl) acetic acid

Chemical Information

2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetic acid
CAS Number121821-92-9
PubChem CID14226998
IUPAC Name2-(1-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetic acid
Molecular FormulaC15H20O4
Molecular Weight264.32
XLogP2.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity301
SMILES
COC1=CC=C(C=C1)C(C(=O)O)C2(CCCCC2)O
InChI
InChI=1S/C15H20O4/c1-19-12-7-5-11(6-8-12)13(14(16)17)15(18)9-3-2-4-10-15/h5-8,13,18H,2-4,9-10H2,1H3,(H,16,17)
InChIKey
FNZJKUBNHBBOEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)acetic acid
CAS: 121821-92-9
CID: 14226998
Formula: C15H20O4
MW: 264.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.32
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass264.13615911
Monoisotopic Mass264.13615911
Topological Polar Surface Area66.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity301
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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