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Pentoxifylline Impurity 35

CAT: 1299-RM-P052035-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P052035-02Size:25 mg
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CAS Number
29006-00-6
Synonyms
6-methoxyhexan-2-one
Molecular Formula
C7H14O2
Molecular Weight
130.19
Target Alternative Name
Pentoxifylline
Product Name Synonym
6-methoxyhexan-2-one

Chemical Information

6-Methoxy-2-hexanone
CAS Number29006-00-6
PubChem CID34415
IUPAC Name6-methoxyhexan-2-one
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP0.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity79
SMILES
CC(=O)CCCCOC
InChI
InChI=1S/C7H14O2/c1-7(8)5-3-4-6-9-2/h3-6H2,1-2H3
InChIKey
BBFYIMIWUNYAAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-2-hexanone
CAS: 29006-00-6
CID: 34415
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity79
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes