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Montelukast Impurity 20

CAT: 1596-AR-M02266-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02266-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
152922-71-9
Synonyms
2- (1- (hydroxymethyl) cyclopropyl) acetonitrile;2- (1- (hydroxymethyl) cyclopropyl) acetonitrile; [1- (Hydroxymethyl) cyclopropyl]acetonitrile;1- (Hydroxymethyl) cyclopropaneacetonitrile (>85%)
Molecular Formula
C6H9NO
Molecular Weight
111.14
API Name
Montelukast

Chemical Information

1-(Hydroxymethyl)cyclopropaneacetonitrile
CAS Number152922-71-9
PubChem CID9964076
IUPAC Name2-[1-(hydroxymethyl)cyclopropyl]acetonitrile
Molecular FormulaC6H9NO
Molecular Weight111.14
XLogP-0.2
Topological Polar Surface Area44
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity129
SMILES
C1CC1(CC#N)CO
InChI
InChI=1S/C6H9NO/c7-4-3-6(5-8)1-2-6/h8H,1-3,5H2
InChIKey
WYOMLUMUVAPMKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Hydroxymethyl)cyclopropaneacetonitrile
CAS: 152922-71-9
CID: 9964076
Formula: C6H9NO
MW: 111.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.14
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass111.068413911
Monoisotopic Mass111.068413911
Topological Polar Surface Area44 Ų
Heavy Atom Count8
Formal Charge0
Complexity129
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

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