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3-Methyl-phenyl propargyl ether

CAT: 0926-FAA65189-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-FAA65189-01Size:0.5 g
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CAS Number
5651-89-8
MDL Number
MFCD14631202
Smiles
CC1=CC (=CC=C1) OCC#C
Molecular Formula
C10H10O
Molecular Weight
146.19 g/mol
Controlled
No

Chemical Information

1-Methyl-3-(2-propyn-1-yloxy)benzene
CAS Number5651-89-8
PubChem CID12360518
IUPAC Name1-methyl-3-prop-2-ynoxybenzene
Molecular FormulaC10H10O
Molecular Weight146.19
XLogP2.8
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
CC1=CC(=CC=C1)OCC#C
InChI
InChI=1S/C10H10O/c1-3-7-11-10-6-4-5-9(2)8-10/h1,4-6,8H,7H2,2H3
InChIKey
CVTRRYVALLYFFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-3-(2-propyn-1-yloxy)benzene
CAS: 5651-89-8
CID: 12360518
Formula: C10H10O
MW: 146.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight146.19
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass146.073164938
Monoisotopic Mass146.073164938
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
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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