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Descyano-[ (E) -methyl 3-methoxyacrylate] Azoxystrobin

CAT: 1596-AR-A03299-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03299-01Size:10 Units
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CAS Number
131860-85-0
Synonyms
(E, E) -2,2'-[4,6-Pyrimidinediylbis (oxy) ]bis[?- (methoxymethylene) -dimethyl Ester Benzeneacetic Acid
Molecular Formula
C26H24N2O8
Molecular Weight
492.48
API Name
Azoxystrobin

Chemical Information

Dimethyl (2E,2'E)-2,2'-[pyrimidine-4,6-diylbis(oxy-2,1-phenylene)]bis(3-methoxyprop-2-enoate)

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CAS Number131860-85-0
PubChem CID56605177
IUPAC Namemethyl (E)-2-[2-[6-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy]pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Molecular FormulaC26H24N2O8
Molecular Weight492.5
XLogP4
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Heavy Atom Count36
Formal Charge0
Complexity724
SMILES
CO/C=C(\C1=CC=CC=C1OC2=CC(=NC=N2)OC3=CC=CC=C3/C(=C\OC)/C(=O)OC)/C(=O)OC
InChI
InChI=1S/C26H24N2O8/c1-31-14-19(25(29)33-3)17-9-5-7-11-21(17)35-23-13-24(28-16-27-23)36-22-12-8-6-10-18(22)20(15-32-2)26(30)34-4/h5-16H,1-4H3/b19-14+,20-15+
InChIKey
BRBWXPDAJKZQEP-PXXPDPNMSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl (2E,2'E)-2,2'-[pyrimidine-4,6-diylbis(oxy-2,1-phenylene)]bis(3-methoxyprop-2-enoate)
CAS: 131860-85-0
CID: 56605177
Formula: C26H24N2O8
MW: 492.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count12
Exact Mass492.15326573
Monoisotopic Mass492.15326573
Topological Polar Surface Area115 Ų
Heavy Atom Count36
Formal Charge0
Complexity724
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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