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1,3-dimethoxy-2-prop-1-enylbenzene,Canonical SMILES: CC=CC1=C(C=CC=C1

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摘 要: 1,3-dimethoxy-2-prop-1-enylbenzene,Canonical SMILES: CC=CC1=C(C=CC=C1OC)OC,InChI: InChI=1/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-8H,1-3H3,Molecular Weight178.22766 [g/mol]Molecular FormulaC11H14O2XLogP3.1H-Bond Donor0H-Bond Acceptor2Rotatable
[Synonyms]

[Structure]
 1,3-dimethoxy-2-prop-1-enylbenzene,Canonical SMILES: CC=CC1=C(C=CC=C1

[ Properties Computed from Structure]
Molecular Weight178.22766 [g/mol]
Molecular FormulaC11H14O2
XLogP3.1
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass178.09938
MonoIsotopic Mass178.09938
Topological Polar Surface Area18.5
Heavy Atom Count13
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1,3-dimethoxy-2-prop-1-enylbenzene
Canonical SMILES: CC=CC1=C(C=CC=C1OC)OC
InChI: InChI=1/C11H14O2/c1-4-6-9-10(12-2)7-5-8-11(9)13-3/h4-8H,1-3H3

 
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