Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, methyl ester


Chemical Name: Benzoic acid, 4-(di-1H-pyrrol-2-ylmethyl)-, methyl ester
CAS Number: 167482-99-7
Product Number: AG001XEU(AGN-PC-0NL3Y5)
Synonyms:
MDL No:
Molecular Formula: C17H16N2O2
Molecular Weight: 280.3211

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
280.327g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
280.121g/mol
Monoisotopic Mass:
280.121g/mol
Topological Polar Surface Area:
57.9A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
337
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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