1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(phenylmethyl)-


Chemical Name: 1H-Pyrrole-3-carboxylicacid, 2,5-dimethyl-1-(phenylmethyl)-
CAS Number: 3807-61-2
Product Number: AG00CJAL(AGN-PC-0JY9OI)
Synonyms:
MDL No:
Molecular Formula: C14H15NO2
Molecular Weight: 229.2744

Identification/Properties


Computed Properties
Molecular Weight:
229.279g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
229.11g/mol
Monoisotopic Mass:
229.11g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
273
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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