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148403-22-9 | Ethanone, 1-(5-phenyl-1H-pyrrol-3-yl)-
CAS No: 148403-22-9 Catalog No: AG001KW9 MDL No:
Product Description
Catalog Number:
AG001KW9
Chemical Name:
Ethanone, 1-(5-phenyl-1H-pyrrol-3-yl)-
CAS Number:
148403-22-9
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-(5-phenyl-1H-pyrrol-3-yl)ethanone
InChI:
InChI=1S/C12H11NO/c1-9(14)11-7-12(13-8-11)10-5-3-2-4-6-10/h2-8,13H,1H3
InChI Key:
ARUITDCTKODANA-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(c1)c1ccccc1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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