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ZINC02988850,,, :Molecular Weight254.34526 [g/mol]Molecular FormulaC

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摘 要:ZINC02988850,,, :Molecular Weight254.34526 [g/mol]Molecular FormulaC14H24NO3+H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count8Exact Mass254.175619MonoIsotopic Mass254.175619Topological Polar Surface Area32.1Heavy Atom Count18Formal Charge1Complexi
[Synonyms]
ZINC02988850


Properties Computed from Structure:Molecular Weight254.34526 [g/mol]Molecular FormulaC14H24NO3+H-Bond Donor1H-Bond Acceptor3Rotatable Bond Count8Exact Mass254.175619MonoIsotopic Mass254.175619Topological Polar Surface Area32.1Heavy Atom Count18Formal Charge1Complexity311Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: diethyl-[4-(4-methoxybut-2-ynoxymethoxy)but-2-ynyl]azanium
Canonical SMILES: CC[NH+](CC)CC#CCOCOCC#CCOC
InChI: InChI=1/C14H23NO3/c1-4-15(5-2)10-6-7-12-17-14-18-13-9-8-11-16-3/h4-5,
10-14H2,1-3H3/p+1/fC14H24NO3/h15H/q+1


Compound Info:CID: 2287229  Create Date: 2005-07-15Parent CID: 2287230

Similar Compounds: 5 Links


Substance Info:Substances: 2 Links

Category: [for same structure substances]Substance Vendors: 2 Links
   ChemSpider ( 1 )
SID: 29786157 - External ID: 1709978
   ZINC ( 1 )
SID: 2699375 - External ID: ZINC02988850

Theoretical Properties: 1 Link
   ZINC ( 1 )
SID: 2699375 - External ID: ZINC02988850

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2287229Molecular Weight254.34526 [g/mol]Molecular FormulaC14H24NO3+H-Bond Donor1H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC02988850,,,   :Molecular Weight254.34526 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight254.34526 [g/mol]
Molecular FormulaC14H24NO3+
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count8
Exact Mass254.175619
MonoIsotopic Mass254.175619
Topological Polar Surface Area32.1
Heavy Atom Count18
Formal Charge1
Complexity311
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: diethyl-[4-(4-methoxybut-2-ynoxymethoxy)but-2-ynyl]azanium
Canonical SMILES: CC[NH+](CC)CC#CCOCOCC#CCOC
InChI: InChI=1/C14H23NO3/c1-4-15(5-2)10-6-7-12-17-14-18-13-9-8-11-16-3/h4-5,
10-14H2,1-3H3/p+1/fC14H24NO3/h15H/q+1

 
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