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(1-Ethoxy-3-butenyl)benzene,Benzene, (1-ethoxy-3-butenyl)-, 1-ethoxybu

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摘 要:(1-Ethoxy-3-butenyl)benzene,Benzene, (1-ethoxy-3-butenyl)-, 1-ethoxybut-3-enylbenzene,Canonical SMILES: CCOC(CC=C)C1=CC=CC=C1,InChI: InChI=1/C12H16O/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h3,5-7,9-10,12H,1,4,,8H2,2H3,Molecular Weight176.25484 [g/mol]Molec
[Synonyms]
(1-Ethoxy-3-butenyl)benzene
Benzene, (1-ethoxy-3-butenyl)-

[Structure]
(1-Ethoxy-3-butenyl)benzene,Benzene, (1-ethoxy-3-butenyl)-, 1-ethoxybu

[ Properties Computed from Structure]
Molecular Weight176.25484 [g/mol]
Molecular FormulaC12H16O
XLogP3.2
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count5
Exact Mass176.120115
MonoIsotopic Mass176.120115
Topological Polar Surface Area9.2
Heavy Atom Count13
Formal Charge0
Complexity136
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-ethoxybut-3-enylbenzene
Canonical SMILES: CCOC(CC=C)C1=CC=CC=C1
InChI: InChI=1/C12H16O/c1-3-8-12(13-4-2)11-9-6-5-7-10-11/h3,5-7,9-10,12H,1,4,
8H2,2H3

 
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