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3- (4-Cyanophenoxy) -1-propyne

CAT: 0127-OR3910Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR3910Size:1 Each
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CAS Number
33143-80-5
MDL Number
MFCD00174280
Purity
97%
Smiles
C#CCOc1ccc(cc1)C#N

Chemical Information

4-(Prop-2-yn-1-yloxy)benzonitrile
CAS Number33143-80-5
PubChem CID2735868
IUPAC Name4-prop-2-ynoxybenzonitrile
Molecular FormulaC10H7NO
Molecular Weight157.17
XLogP1.7
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity221
SMILES
C#CCOC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H7NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h1,3-6H,7H2
InChIKey
NTMNTKKDAFBUSM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Prop-2-yn-1-yloxy)benzonitrile
CAS: 33143-80-5
CID: 2735868
Formula: C10H7NO
MW: 157.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.17
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass157.052763847
Monoisotopic Mass157.052763847
Topological Polar Surface Area33 Ų
Heavy Atom Count12
Formal Charge0
Complexity221
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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Alternative Products

CatalogName
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AGC98925-011- (4-Chloro-3- (trifluoromethyl) phenyl) -3- (3- (4-cyanophenoxy) phenyl) urea
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410548-01[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-dicarboxylic Acid
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