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87574-15-0 | Ethanone, 1-(1-phenyl-1H-pyrrol-2-yl)-
CAS No: 87574-15-0 Catalog No: AG004R17 MDL No:
Product Description
Catalog Number:
AG004R17
Chemical Name:
Ethanone, 1-(1-phenyl-1H-pyrrol-2-yl)-
CAS Number:
87574-15-0
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
IUPAC Name:
1-(1-phenylpyrrol-2-yl)ethanone
InChI:
InChI=1S/C12H11NO/c1-10(14)12-8-5-9-13(12)11-6-3-2-4-7-11/h2-9H,1H3
InChI Key:
DMHWPHCHFKLNDN-UHFFFAOYSA-N
SMILES:
CC(=O)c1cccn1c1ccccc1
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:
0
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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