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4-Methylphenoxypropionitrile

CAT: 0024-sc-232889Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-232889Size:25 g
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CAS Number
25268-01-3

Chemical Information

3-(4-Methylphenoxy)propanenitrile
CAS Number25268-01-3
PubChem CID2063533
IUPAC Name3-(4-methylphenoxy)propanenitrile
Molecular FormulaC10H11NO
Molecular Weight161.20
XLogP2
Topological Polar Surface Area33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
CC1=CC=C(C=C1)OCCC#N
InChI
InChI=1S/C10H11NO/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6H,2,8H2,1H3
InChIKey
ZELCPEBYDWJHDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Methylphenoxy)propanenitrile
CAS: 25268-01-3
CID: 2063533
Formula: C10H11NO
MW: 161.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.20
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass161.084063974
Monoisotopic Mass161.084063974
Topological Polar Surface Area33 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
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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