Ethanone, 1-(1H-pyrrol-3-yl)-


Chemical Name: Ethanone, 1-(1H-pyrrol-3-yl)-
CAS Number: 1072-82-8
Product Number: AG0038YW(AGN-PC-03FSXG)
Synonyms:
MDL No:
Molecular Formula: C6H7NO
Molecular Weight: 109.1259

Identification/Properties


Computed Properties
Molecular Weight:
109.128g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
109.053g/mol
Monoisotopic Mass:
109.053g/mol
Topological Polar Surface Area:
32.9A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
101
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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