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13169-74-9 | Ethanone, 2-phenyl-1-(1H-pyrrol-2-yl)-
CAS No: 13169-74-9 Catalog No: AG000ZKX MDL No:MFCD18872811
Product Description
Catalog Number:
AG000ZKX
Chemical Name:
Ethanone, 2-phenyl-1-(1H-pyrrol-2-yl)-
CAS Number:
13169-74-9
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD18872811
IUPAC Name:
2-phenyl-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C12H11NO/c14-12(11-7-4-8-13-11)9-10-5-2-1-3-6-10/h1-8,13H,9H2
InChI Key:
STFMKWCNBOPACP-UHFFFAOYSA-N
SMILES:
O=C(c1ccc[nH]1)Cc1ccccc1
Properties
Complexity:
197
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:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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