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100063-06-7 | Ethanone, 2-hydroxy-2-phenyl-1-(1H-pyrrol-2-yl)-
CAS No: 100063-06-7 Catalog No: AG0000TD MDL No:
Product Description
Catalog Number:
AG0000TD
Chemical Name:
Ethanone, 2-hydroxy-2-phenyl-1-(1H-pyrrol-2-yl)-
CAS Number:
100063-06-7
Molecular Formula:
C12H11NO2
Molecular Weight:
201.2212
IUPAC Name:
2-hydroxy-2-phenyl-1-(1H-pyrrol-2-yl)ethanone
InChI:
InChI=1S/C12H11NO2/c14-11(9-5-2-1-3-6-9)12(15)10-7-4-8-13-10/h1-8,11,13-14H
InChI Key:
RWFSKRLCBWQKNX-UHFFFAOYSA-N
SMILES:
OC(C(=O)c1ccc[nH]1)c1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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