1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-


Chemical Name: 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-
CAS Number: 26171-23-3
Product Number: AG002RZ0(AGN-PC-004V7Q)
Synonyms:
MDL No:
Molecular Formula: C15H15NO3
Molecular Weight: 257.2845

Identification/Properties


Properties
MP:
156 °C
BP:
483.2°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
257.289g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
257.105g/mol
Monoisotopic Mass:
257.105g/mol
Topological Polar Surface Area:
59.3A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
347
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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