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3-Vinylbenzaldehyde,523062_ALDRICH, 3-ethenylbenzaldehyde,Canonical SM

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摘 要:3-Vinylbenzaldehyde,523062_ALDRICH, 3-ethenylbenzaldehyde,Canonical SMILES: C=CC1=CC(=CC=C1)C=O,InChI: InChI=1/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2,Molecular Weight132.15922 [g/mol]Molecular FormulaC9H8OXLogP2.7H-Bond Donor0H-Bond Acceptor1Rotatab
[Synonyms]
3-Vinylbenzaldehyde
523062_ALDRICH

[Structure]
3-Vinylbenzaldehyde,523062_ALDRICH, 3-ethenylbenzaldehyde,Canonical SM

[ Properties Computed from Structure]
Molecular Weight132.15922 [g/mol]
Molecular FormulaC9H8O
XLogP2.7
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count2
Exact Mass132.057515
MonoIsotopic Mass132.057515
Topological Polar Surface Area17.1
Heavy Atom Count10
Formal Charge0
Complexity129
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-ethenylbenzaldehyde
Canonical SMILES: C=CC1=CC(=CC=C1)C=O
InChI: InChI=1/C9H8O/c1-2-8-4-3-5-9(6-8)7-10/h2-7H,1H2

 
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