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EUK 124

CAT: 0024-sc-205320ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205320ASize:10 mg
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CAS Number
186299-35-4

Chemical Information

2-[2-[(2,4-Dimethoxy-6-oxidophenyl)methylideneamino]ethyliminomethyl]-3,5-dimethoxyphenolate;manganese(3+);chloride
CAS Number186299-35-4
PubChem CID126456212
IUPAC Name2-[2-[(2,4-dimethoxy-6-oxidophenyl)methylideneamino]ethyliminomethyl]-3,5-dimethoxyphenolate;manganese(3+);chloride
Molecular FormulaC20H22ClMnN2O6
Molecular Weight476.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity459
SMILES
COC1=CC(=C(C(=C1)OC)C=NCCN=CC2=C(C=C(C=C2OC)OC)[O-])[O-].[Cl-].[Mn+3]
InChI
InChI=1S/C20H24N2O6.ClH.Mn/c1-25-13-7-17(23)15(19(9-13)27-3)11-21-5-6-22-12-16-18(24)8-14(26-2)10-20(16)28-4;;/h7-12,23-24H,5-6H2,1-4H3;1H;/q;;+3/p-3
InChIKey
CZWTULNLOQLTRE-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of 2-[2-[(2,4-Dimethoxy-6-oxidophenyl)methylideneamino]ethyliminomethyl]-3,5-dimethoxyphenolate;manganese(3+);chloride
CAS: 186299-35-4
CID: 126456212
Formula: C20H22ClMnN2O6
MW: 476.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass476.054682
Monoisotopic Mass476.054682
Topological Polar Surface Area108 Ų
Heavy Atom Count30
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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