Methanone, cyclopropyl[4-[3-(1H-imidazol-4-yl)propoxy]phenyl]-,(2Z)-2-butenedioate (1:1)


Chemical Name: Methanone, cyclopropyl[4-[3-(1H-imidazol-4-yl)propoxy]phenyl]-,(2Z)-2-butenedioate (1:1)
CAS Number: 184025-19-2
Product Number: AG003OX2(AGN-PC-0QCZAM)
Synonyms:
MDL No:
Molecular Formula: C20H22N2O6
Molecular Weight: 386.3985

Identification/Properties


Properties
MP:
122 - 124°C
Storage:
-10 ℃;
Form:
Solid
Solubility:
DMSO: soluble32mg/mL
Computed Properties
Molecular Weight:
386.404g/mol
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
386.148g/mol
Monoisotopic Mass:
386.148g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
441
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



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