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86864-11-1 | 1H-Pyrrole, 3-methoxy-2,5-diphenyl-
CAS No: 86864-11-1 Catalog No: AG004IPR MDL No:
Product Description
Catalog Number:
AG004IPR
Chemical Name:
1H-Pyrrole, 3-methoxy-2,5-diphenyl-
CAS Number:
86864-11-1
Molecular Formula:
C17H15NO
Molecular Weight:
249.3071
IUPAC Name:
3-methoxy-2,5-diphenyl-1H-pyrrole
InChI:
InChI=1S/C17H15NO/c1-19-16-12-15(13-8-4-2-5-9-13)18-17(16)14-10-6-3-7-11-14/h2-12,18H,1H3
InChI Key:
BAMZNYMELOKWPO-UHFFFAOYSA-N
SMILES:
COc1cc([nH]c1c1ccccc1)c1ccccc1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.313g/mol
Monoisotopic Mass:
249.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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