2-(5-ethoxycarbonyl-1-methylpyrrole-3-carbonyl)benzoic acid


Chemical Name: 2-(5-ethoxycarbonyl-1-methylpyrrole-3-carbonyl)benzoic acid
CAS Number: 120562-90-5
Product Number: AG008V8D(AGN-PC-0KKQ8P)
Synonyms:
MDL No:
Molecular Formula: C16H15NO5
Molecular Weight: 301.2940

Identification/Properties


Computed Properties
Molecular Weight:
301.298g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
301.095g/mol
Monoisotopic Mass:
301.095g/mol
Topological Polar Surface Area:
85.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
450
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

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NMR Spectrum


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