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ZINC02987076,,, :Molecular Weight346.37438 [g/mol]Molecular FormulaC

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摘 要:ZINC02987076,,, :Molecular Weight346.37438 [g/mol]Molecular FormulaC19H22O6XLogP2.7H-Bond Donor0H-Bond Acceptor6Rotatable Bond Count11Exact Mass346.141638MonoIsotopic Mass346.141638Topological Polar Surface Area63.2Heavy Atom Count25Formal Charge0C
[Synonyms]
ZINC02987076


Properties Computed from Structure:Molecular Weight346.37438 [g/mol]Molecular FormulaC19H22O6XLogP2.7H-Bond Donor0H-Bond Acceptor6Rotatable Bond Count11Exact Mass346.141638MonoIsotopic Mass346.141638Topological Polar Surface Area63.2Heavy Atom Count25Formal Charge0Complexity364Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: 3-methoxy-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzaldehyde
Canonical SMILES: COC1=CC(=CC=C1)OCCOCCOC2=C(C=C(C=C2)C=O)OC
InChI: InChI=1/C19H22O6/c1-21-16-4-3-5-17(13-16)24-10-8-23-9-11-25-18-7-6-15
(14-20)12-19(18)22-2/h3-7,12-14H,8-11H2,1-2H3


Compound Info:CID: 2285788  Create Date: 2005-07-15

Similar Compounds: 1702 Links


Substance Info:Substances: 6 Links

Category: [for same structure substances]Biological Properties: 2 Links
   DiscoveryGate ( 1 )
SID: 8994511 - External ID: 2285788
   MTDP ( 1 )
SID: 8132475 - External ID: 6482149

Substance Vendors: 3 Links
   ChemBridge ( 1 )
SID: 3475252 - External ID: 6482149
   ChemSpider ( 1 )
SID: 29785128 - External ID: 1708949
   ZINC ( 1 )
SID: 2697782 - External ID: ZINC02987076

Theoretical Properties: 2 Links
   ChemDB ( 1 )
SID: 5532464 - External ID: 4374030
   ZINC ( 1 )
SID: 2697782 - External ID: ZINC02987076

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2285788Molecular Weight346.37438 [g/mol]Molecular FormulaC19H22O6XLogP2.7H-Bond Donor0H-Bond Acceptor6  Links
Chemical Structure Search
BioActivity Summary:
This Compound
with Similar Compounds


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[Structure]
ZINC02987076,,,   :Molecular Weight346.37438 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight346.37438 [g/mol]
Molecular FormulaC19H22O6
XLogP2.7
H-Bond Donor0
H-Bond Acceptor6
Rotatable Bond Count11
Exact Mass346.141638
MonoIsotopic Mass346.141638
Topological Polar Surface Area63.2
Heavy Atom Count25
Formal Charge0
Complexity364
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-methoxy-4-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzaldehyde
Canonical SMILES: COC1=CC(=CC=C1)OCCOCCOC2=C(C=C(C=C2)C=O)OC
InChI: InChI=1/C19H22O6/c1-21-16-4-3-5-17(13-16)24-10-8-23-9-11-25-18-7-6-15
(14-20)12-19(18)22-2/h3-7,12-14H,8-11H2,1-2H3

 
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