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1-Ethynyl-3-propoxybenzene

CAT: 0926-QMC34107-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-QMC34107-01Size:250 mg
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CAS Number
1565341-07-2
MDL Number
MFCD26853290
Smiles
CCCOC1=CC=CC (=C1) C#C
Molecular Formula
C11H12O
Molecular Weight
160.21 g/mol
Controlled
No

Chemical Information

1-Ethynyl-3-propoxybenzene
CAS Number1565341-07-2
PubChem CID104276758
IUPAC Name1-ethynyl-3-propoxybenzene
Molecular FormulaC11H12O
Molecular Weight160.21
XLogP3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity165
SMILES
CCCOC1=CC=CC(=C1)C#C
InChI
InChI=1S/C11H12O/c1-3-8-12-11-7-5-6-10(4-2)9-11/h2,5-7,9H,3,8H2,1H3
InChIKey
ULZWSPUDPHQRML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Ethynyl-3-propoxybenzene
CAS: 1565341-07-2
CID: 104276758
Formula: C11H12O
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass160.088815002
Monoisotopic Mass160.088815002
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity165
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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